1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)morpholine

C220H329FN13O13S5+ — CID 157325505

IUPAC1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)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(N)(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccc(N2CCOCC2)cc1.CCc1cc(N(C)C)ccc1C(C)(C)C.CCc1ccccc1C(C)(C)C.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.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.C[N+](=O)c1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)ccc1F.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C14H21N.C14H23N.C13H21NOS.3C13H19NO.C13H19N.C12H19NO2S.C12H19NOS.C12H17NO.C12H17N.C12H18O.C12H18.C11H15F.C11H17NOS.C11H16NO.C11H16O2S.C11H16/c1-11(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;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;2*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;1-5-10-8-6-7-9-11(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)9-5-7-10(8-6-9)12(4)13;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13;1-9-7-5-6-8-10(9)11(2,3)4/h7-10H,1H2,2-6H3;8-10H,7H2,1-6H3;7-10H,6H2,1-5H3;3-6,11H,7-10H2,1-2H3;2*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;6-9H,5H2,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3,(H2,12,13);5-8H,1-4H3;5-8H,1-4H3;5-8H,1-4H3/q;;;;;;;;;;;;;;;+1;;
InChIKeyJNMWMGITOYKOQW-UHFFFAOYSA-N
MW3543.46 g/mol
LogP51.46
Rot. Bonds23

About 1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)morpholine

1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)morpholine (PubChem CID 157325505) has the molecular formula C220H329FN13O13S5+ and a molecular weight of 3543.46 g/mol. Its IUPAC name is 1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)morpholine
PubChem CID157325505
Molecular FormulaC220H329FN13O13S5+
Molecular Weight3543.46 g/mol
Exact Mass3540.41
IUPAC Name1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)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(N)(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccc(N2CCOCC2)cc1.CCc1cc(N(C)C)ccc1C(C)(C)C.CCc1ccccc1C(C)(C)C.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.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.C[N+](=O)c1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)ccc1F.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C14H21N.C14H23N.C13H21NOS.3C13H19NO.C13H19N.C12H19NO2S.C12H19NOS.C12H17NO.C12H17N.C12H18O.C12H18.C11H15F.C11H17NOS.C11H16NO.C11H16O2S.C11H16/c1-11(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;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;2*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;1-5-10-8-6-7-9-11(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)9-5-7-10(8-6-9)12(4)13;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13;1-9-7-5-6-8-10(9)11(2,3)4/h7-10H,1H2,2-6H3;8-10H,7H2,1-6H3;7-10H,6H2,1-5H3;3-6,11H,7-10H2,1-2H3;2*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;6-9H,5H2,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3,(H2,12,13);5-8H,1-4H3;5-8H,1-4H3;5-8H,1-4H3/q;;;;;;;;;;;;;;;+1;;
InChIKeyJNMWMGITOYKOQW-UHFFFAOYSA-N
XLogP51.46
TPSA320.05 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms252
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003543.46
LogP ≤ 551.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)morpholine?
The IUPAC name of 1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)morpholine (CID 157325505) is 1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)morpholine.
What is the SMILES notation for 1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)morpholine?
The canonical SMILES for 1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)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(N)(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccc(N2CCOCC2)cc1.CCc1cc(N(C)C)ccc1C(C)(C)C.CCc1ccccc1C(C)(C)C.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.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.C[N+](=O)c1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)ccc1F.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)morpholine?
The InChIKey is JNMWMGITOYKOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C14H23N.C13H21NOS.3C13H19NO.C13H19N.C12H19NO2S.C12H19NOS.C12H17NO.C12H17N.C12H18O.C12H18.C11H15F.C11H17NOS.C11H16NO.C11H16O2S.C11H16/c1-11(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;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;2*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;1-5-10-8-6-7-9-11(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)9-5-7-10(8-6-9)12(4)13;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13;1-9-7-5-6-8-10(9)11(2,3)4/h7-10H,1H2,2-6H3;8-10H,7H2,1-6H3;7-10H,6H2,1-5H3;3-6,11H,7-10H2,1-2H3;2*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;6-9H,5H2,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3,(H2,12,13);5-8H,1-4H3;5-8H,1-4H3;5-8H,1-4H3/q;;;;;;;;;;;;;;;+1;;.
What are the key properties of 1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)morpholine?
1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)morpholine has a molecular weight of 3543.46 g/mol, XLogP of 51.46, 23 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(amino-methylidene-oxo-λ6-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-λ6-sulfanyl]methanamine;N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine;(4-tert-butylphenyl)-methyl-oxoazanium;4-(4-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 157325505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).