1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine

C244H361ClFN13O16S6 — CID 159868973

IUPAC1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine
SMILESC=C(N)c1cccc(C(C)(C)C)c1.C=C(NC)c1cccc(C(C)(C)C)c1.C=C(c1cccc(C(C)(C)C)c1)N(C)C.C=S(=O)(NC)c1ccc(C(C)(C)C)cc1.C=S(=O)(c1ccc(C(C)(C)C)cc1)N(C)C.C=S(=O)(c1ccc(C(C)(C)C)cc1)N1CCOCC1.C=S(N)(=O)c1ccc(C(C)(C)C)cc1.CC(=O)c1ccccc1C(C)(C)C.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CC(C)(C)c1ccccc1Cl.CCc1cc(N(C)C)ccc1C(C)(C)C.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CN(C)S(=O)(=O)c1cccc(C(C)(C)C)c1.CNC(=O)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C.COc1ccccc1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1F.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C15H23NO2S.C14H21NO.C14H21N.C14H23N.C13H21NOS.C13H19NO.C13H19N.C12H19NO2S.C12H19NOS.C12H17NO.C12H17N.C12H18O.C12H16O.C11H15F.C11H17NOS.C11H15NO.C11H16O2S.C11H16O.C11H16.C10H13Cl/c1-15(2,3)13-5-7-14(8-6-13)19(4,17)16-9-11-18-12-10-16;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-11(15(5)6)12-8-7-9-13(10-12)14(2,3)4;1-7-11-10-12(15(5)6)8-9-13(11)14(2,3)4;1-13(2,3)11-7-9-12(10-8-11)16(6,15)14(4)5;1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5;1-10(14-5)11-7-6-8-12(9-11)13(2,3)4;1-12(2,3)10-7-6-8-11(9-10)16(14,15)13(4)5;1-12(2,3)10-6-8-11(9-7-10)15(5,14)13-4;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-9(13)10-7-5-6-8-11(10)12(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11/h5-8H,4,9-12H2,1-3H3;4-7H,8-11H2,1-3H3;7-10H,1H2,2-6H3;8-10H,7H2,1-6H3;7-10H,6H2,1-5H3;6-9H,1-5H3;6-9,14H,1H2,2-5H3;6-9H,1-5H3;6-9H,5H2,1-4H3,(H,13,14);5-8H,1-4H3,(H,13,14);5-8H,1,13H2,2-4H3;6-8H,1-5H3;5-8H,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3,(H2,12,13);4-7H,1-3H3,(H2,12,13);5-8H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3
InChIKeyNSCALBKNBGUFJI-UHFFFAOYSA-N
MW3979.50 g/mol
LogP56.58
Rot. Bonds24

About 1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine

1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine (PubChem CID 159868973) has the molecular formula C244H361ClFN13O16S6 and a molecular weight of 3979.50 g/mol. Its IUPAC name is 1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine.

Molecular Properties

Compound Name1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine
PubChem CID159868973
Molecular FormulaC244H361ClFN13O16S6
Molecular Weight3979.50 g/mol
Exact Mass3975.58
IUPAC Name1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine
SMILESC=C(N)c1cccc(C(C)(C)C)c1.C=C(NC)c1cccc(C(C)(C)C)c1.C=C(c1cccc(C(C)(C)C)c1)N(C)C.C=S(=O)(NC)c1ccc(C(C)(C)C)cc1.C=S(=O)(c1ccc(C(C)(C)C)cc1)N(C)C.C=S(=O)(c1ccc(C(C)(C)C)cc1)N1CCOCC1.C=S(N)(=O)c1ccc(C(C)(C)C)cc1.CC(=O)c1ccccc1C(C)(C)C.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CC(C)(C)c1ccccc1Cl.CCc1cc(N(C)C)ccc1C(C)(C)C.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CN(C)S(=O)(=O)c1cccc(C(C)(C)C)c1.CNC(=O)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C.COc1ccccc1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1F.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C15H23NO2S.C14H21NO.C14H21N.C14H23N.C13H21NOS.C13H19NO.C13H19N.C12H19NO2S.C12H19NOS.C12H17NO.C12H17N.C12H18O.C12H16O.C11H15F.C11H17NOS.C11H15NO.C11H16O2S.C11H16O.C11H16.C10H13Cl/c1-15(2,3)13-5-7-14(8-6-13)19(4,17)16-9-11-18-12-10-16;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-11(15(5)6)12-8-7-9-13(10-12)14(2,3)4;1-7-11-10-12(15(5)6)8-9-13(11)14(2,3)4;1-13(2,3)11-7-9-12(10-8-11)16(6,15)14(4)5;1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5;1-10(14-5)11-7-6-8-12(9-11)13(2,3)4;1-12(2,3)10-7-6-8-11(9-10)16(14,15)13(4)5;1-12(2,3)10-6-8-11(9-7-10)15(5,14)13-4;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-9(13)10-7-5-6-8-11(10)12(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11/h5-8H,4,9-12H2,1-3H3;4-7H,8-11H2,1-3H3;7-10H,1H2,2-6H3;8-10H,7H2,1-6H3;7-10H,6H2,1-5H3;6-9H,1-5H3;6-9,14H,1H2,2-5H3;6-9H,1-5H3;6-9H,5H2,1-4H3,(H,13,14);5-8H,1-4H3,(H,13,14);5-8H,1,13H2,2-4H3;6-8H,1-5H3;5-8H,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3,(H2,12,13);4-7H,1-3H3,(H2,12,13);5-8H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3
InChIKeyNSCALBKNBGUFJI-UHFFFAOYSA-N
XLogP56.58
TPSA378.59 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms281
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003979.50
LogP ≤ 556.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine with MolForge

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Related Compounds

1-tert-butyl-2,5-difluoro-4-methoxybenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-[(3-fluorophenyl)methoxy]benzene;1-(5-tert-butyl-2-fluorophenyl)-2-phenylethanone;(5-tert-butyl-2-fluorophenyl)-piperidin-1-ylmethanone;(5-tert-butyl-2-fluorophenyl)-pyrrolidin-1-ylmethanone;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;4-(5-tert-butyl-2-methoxyphenyl)sulfonylmorpholine;N-(3-tert-butylphenyl)methanesulfonamide;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;fluoromethane;N-(2-hydroxyethyl)-2-propan-2-ylbenzamide
CID 157280398
1-(amino-methylidene-oxo-lambda6-sulfanyl)-4-tert-butylbenzene;bis(4-tert-butyl-N,N-dimethylbenzamide);3-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;N-[(4-tert-butylphenyl)-methylidene-oxo-lambda6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-lambda6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)morpholine
CID 157325505
4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;2-propan-2-ylbenzoic acid
CID 157904628
1-(amino-methylidene-oxo-lambda6-sulfanyl)-4-tert-butylbenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;N-[(4-tert-butylphenyl)-methylidene-oxo-lambda6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-lambda6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine;1-(2-propan-2-ylphenyl)ethanone
CID 157986755
1-tert-butyl-2-ethylbenzene;4-tert-butyl-3-ethyl-N,N-dimethylaniline;1-tert-butyl-2-ethyl-4-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;bis(1-tert-butyl-2-methylbenzene);1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(3-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methyl-methylidene-oxo-lambda6-sulfane;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-2-propan-2-ylbenzene;methane;1-(2-propan-2-ylphenyl)ethanone
CID 158107350
1-chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;3,4-dimethylbenzoic acid;1-fluoro-3-methoxy-2-methylbenzene;4-methylbenzamide;methyl 2-methylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylpiperazine;1-methyl-4-methylsulfanylbenzene;1-methyl-3-methylsulfonylbenzene;4-methyl-N-(oxolan-2-ylmethyl)benzenesulfinamide;4-(4-methylphenyl)sulfonylpiperazin-2-one;1-(4-methylphenyl)sulfonylpiperidin-4-ol;N,N,2-trimethylaniline;N,N,4-trimethylaniline;N,N,4-trimethylbenzamide;1,2,4-trimethylbenzene;trihydrate
CID 158112481
4-tert-butylbenzamide;4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine
CID 158219826
4-tert-butylbenzamide;4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;1-(4-tert-butylphenyl)piperidine
CID 158329426
1-(amino-methylidene-oxo-lambda6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide
CID 160238784
3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide;4-(4-propan-2-ylphenyl)morpholine
CID 160444651
3-tert-butylbenzamide;4-tert-butylbenzamide;3-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;3-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzamide;4-tert-butyl-N-methylbenzenesulfonamide;4-(4-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)sulfonylmorpholine;4-tert-butyl-N-propan-2-ylbenzenesulfonamide
CID 160718715
4-tert-butylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylbenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-methoxy-N,N-dimethylaniline;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;4-tert-butyl-N-methylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(4-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;4-(4-tert-butylphenyl)morpholine
CID 160730119

Frequently Asked Questions

What is the IUPAC name of 1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine?
The IUPAC name of 1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine (CID 159868973) is 1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine.
What is the SMILES notation for 1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine?
The canonical SMILES for 1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine is C=C(N)c1cccc(C(C)(C)C)c1.C=C(NC)c1cccc(C(C)(C)C)c1.C=C(c1cccc(C(C)(C)C)c1)N(C)C.C=S(=O)(NC)c1ccc(C(C)(C)C)cc1.C=S(=O)(c1ccc(C(C)(C)C)cc1)N(C)C.C=S(=O)(c1ccc(C(C)(C)C)cc1)N1CCOCC1.C=S(N)(=O)c1ccc(C(C)(C)C)cc1.CC(=O)c1ccccc1C(C)(C)C.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CC(C)(C)c1ccccc1Cl.CCc1cc(N(C)C)ccc1C(C)(C)C.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CN(C)S(=O)(=O)c1cccc(C(C)(C)C)c1.CNC(=O)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C.COc1ccccc1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1F.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine?
The InChIKey is NSCALBKNBGUFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S.C14H21NO.C14H21N.C14H23N.C13H21NOS.C13H19NO.C13H19N.C12H19NO2S.C12H19NOS.C12H17NO.C12H17N.C12H18O.C12H16O.C11H15F.C11H17NOS.C11H15NO.C11H16O2S.C11H16O.C11H16.C10H13Cl/c1-15(2,3)13-5-7-14(8-6-13)19(4,17)16-9-11-18-12-10-16;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-11(15(5)6)12-8-7-9-13(10-12)14(2,3)4;1-7-11-10-12(15(5)6)8-9-13(11)14(2,3)4;1-13(2,3)11-7-9-12(10-8-11)16(6,15)14(4)5;1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5;1-10(14-5)11-7-6-8-12(9-11)13(2,3)4;1-12(2,3)10-7-6-8-11(9-10)16(14,15)13(4)5;1-12(2,3)10-6-8-11(9-7-10)15(5,14)13-4;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-9(13)10-7-5-6-8-11(10)12(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11/h5-8H,4,9-12H2,1-3H3;4-7H,8-11H2,1-3H3;7-10H,1H2,2-6H3;8-10H,7H2,1-6H3;7-10H,6H2,1-5H3;6-9H,1-5H3;6-9,14H,1H2,2-5H3;6-9H,1-5H3;6-9H,5H2,1-4H3,(H,13,14);5-8H,1-4H3,(H,13,14);5-8H,1,13H2,2-4H3;6-8H,1-5H3;5-8H,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3,(H2,12,13);4-7H,1-3H3,(H2,12,13);5-8H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3.
What are the key properties of 1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine?
1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine has a molecular weight of 3979.50 g/mol, XLogP of 56.58, 24 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(amino-methylidene-oxo-λ6-sulfanyl)-4-tert-butylbenzene;4-tert-butylbenzamide;1-tert-butyl-2-chlorobenzene;4-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N,N-dimethylbenzenesulfonamide;4-tert-butyl-3-ethyl-N,N-dimethylaniline;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;4-tert-butyl-N-methylbenzamide;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylethenamine;1-(2-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;1-(3-tert-butylphenyl)-N-methylethenamine;(4-tert-butylphenyl)-methylidene-morpholin-4-yl-oxo-λ6-sulfane;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;4-(4-tert-butylphenyl)morpholine is sourced from PubChem (CID 159868973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).