1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one

C154H332N22O40S10 — CID 167628778

IUPAC1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one
SMILESCC(=O)CC(C)(C)C.CC(=O)N(C)C(C)(C)C.CC(C)(C)CC(=O)C1CCOCC1.CC(C)(C)CC(=O)N1CCOCC1.CC(C)(C)N1CCNC1=O.CC(C)C(=O)CC(C)(C)C.CC(C)CS(=O)(=O)N1CCOCC1.CC(C)N1CCCS1(=O)=O.CC(C)NS(=O)(=O)N1CCN(C)CC1.CCC(=O)CC(C)(C)C.CCNS(=O)(=O)C1CC1.CCNS(=O)(=O)C1CCOCC1.CCNS(=O)(=O)CCOC.CCNS(=O)(=O)N(C)C.CCNS(=O)(=O)NC.CCNS(=O)(=O)NC(C)C.CCNS(C)(=O)=O.CCOC(=O)CC(C)C.CN(C)C(=O)CC(C)(C)C.CN1CCN(C(=O)CC(C)(C)C)CC1.COC(=O)CC(C)(C)C.COCC(=O)CC(C)(C)C
InChIInChI=1S/C11H22N2O.C11H20O2.C10H19NO2.C9H18O.C8H19N3O2S.C8H17NO3S.C8H17NO.C8H16O2.C8H16O.C7H14N2O.C7H15NO3S.C7H15NO.2C7H14O2.C7H14O.C6H13NO2S.C5H14N2O2S.C5H13NO3S.C5H11NO2S.C4H12N2O2S.C3H10N2O2S.C3H9NO2S/c1-11(2,3)9-10(14)13-7-5-12(4)6-8-13;1-11(2,3)8-10(12)9-4-6-13-7-5-9;1-10(2,3)8-9(12)11-4-6-13-7-5-11;1-7(2)8(10)6-9(3,4)5;1-8(2)9-14(12,13)11-6-4-10(3)5-7-11;1-8(2)7-13(10,11)9-3-5-12-6-4-9;1-8(2,3)6-7(10)9(4)5;1-8(2,3)5-7(9)6-10-4;1-5-7(9)6-8(2,3)4;1-7(2,3)9-5-4-8-6(9)10;1-2-8-12(9,10)7-3-5-11-6-4-7;1-6(9)8(5)7(2,3)4;1-7(2,3)5-6(8)9-4;1-4-9-7(8)5-6(2)3;1-6(8)5-7(2,3)4;1-6(2)7-4-3-5-10(7,8)9;1-4-6-10(8,9)7-5(2)3;1-3-6-10(7,8)5-4-9-2;1-2-6-9(7,8)5-3-4-5;1-4-5-9(7,8)6(2)3;1-3-5-8(6,7)4-2;1-3-4-7(2,5)6/h5-9H2,1-4H3;9H,4-8H2,1-3H3;4-8H2,1-3H3;7H,6H2,1-5H3;8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;6H2,1-5H3;5-6H2,1-4H3;5-6H2,1-4H3;4-5H2,1-3H3,(H,8,10);7-8H,2-6H2,1H3;1-5H3;5H2,1-4H3;6H,4-5H2,1-3H3;5H2,1-4H3;6H,3-5H2,1-2H3;5-7H,4H2,1-3H3;6H,3-5H2,1-2H3;5-6H,2-4H2,1H3;5H,4H2,1-3H3;4-5H,3H2,1-2H3;4H,3H2,1-2H3
InChIKeyNMKZNKDMEJWZSB-UHFFFAOYSA-N
MW3453.13 g/mol
LogP18.20
Rot. Bonds47

About 1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one

1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one (PubChem CID 167628778) has the molecular formula C154H332N22O40S10 and a molecular weight of 3453.13 g/mol. Its IUPAC name is 1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one.

Molecular Properties

Compound Name1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one
PubChem CID167628778
Molecular FormulaC154H332N22O40S10
Molecular Weight3453.13 g/mol
Exact Mass3450.18
IUPAC Name1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one
SMILESCC(=O)CC(C)(C)C.CC(=O)N(C)C(C)(C)C.CC(C)(C)CC(=O)C1CCOCC1.CC(C)(C)CC(=O)N1CCOCC1.CC(C)(C)N1CCNC1=O.CC(C)C(=O)CC(C)(C)C.CC(C)CS(=O)(=O)N1CCOCC1.CC(C)N1CCCS1(=O)=O.CC(C)NS(=O)(=O)N1CCN(C)CC1.CCC(=O)CC(C)(C)C.CCNS(=O)(=O)C1CC1.CCNS(=O)(=O)C1CCOCC1.CCNS(=O)(=O)CCOC.CCNS(=O)(=O)N(C)C.CCNS(=O)(=O)NC.CCNS(=O)(=O)NC(C)C.CCNS(C)(=O)=O.CCOC(=O)CC(C)C.CN(C)C(=O)CC(C)(C)C.CN1CCN(C(=O)CC(C)(C)C)CC1.COC(=O)CC(C)(C)C.COCC(=O)CC(C)(C)C
InChIInChI=1S/C11H22N2O.C11H20O2.C10H19NO2.C9H18O.C8H19N3O2S.C8H17NO3S.C8H17NO.C8H16O2.C8H16O.C7H14N2O.C7H15NO3S.C7H15NO.2C7H14O2.C7H14O.C6H13NO2S.C5H14N2O2S.C5H13NO3S.C5H11NO2S.C4H12N2O2S.C3H10N2O2S.C3H9NO2S/c1-11(2,3)9-10(14)13-7-5-12(4)6-8-13;1-11(2,3)8-10(12)9-4-6-13-7-5-9;1-10(2,3)8-9(12)11-4-6-13-7-5-11;1-7(2)8(10)6-9(3,4)5;1-8(2)9-14(12,13)11-6-4-10(3)5-7-11;1-8(2)7-13(10,11)9-3-5-12-6-4-9;1-8(2,3)6-7(10)9(4)5;1-8(2,3)5-7(9)6-10-4;1-5-7(9)6-8(2,3)4;1-7(2,3)9-5-4-8-6(9)10;1-2-8-12(9,10)7-3-5-11-6-4-7;1-6(9)8(5)7(2,3)4;1-7(2,3)5-6(8)9-4;1-4-9-7(8)5-6(2)3;1-6(8)5-7(2,3)4;1-6(2)7-4-3-5-10(7,8)9;1-4-6-10(8,9)7-5(2)3;1-3-6-10(7,8)5-4-9-2;1-2-6-9(7,8)5-3-4-5;1-4-5-9(7,8)6(2)3;1-3-5-8(6,7)4-2;1-3-4-7(2,5)6/h5-9H2,1-4H3;9H,4-8H2,1-3H3;4-8H2,1-3H3;7H,6H2,1-5H3;8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;6H2,1-5H3;5-6H2,1-4H3;5-6H2,1-4H3;4-5H2,1-3H3,(H,8,10);7-8H,2-6H2,1H3;1-5H3;5H2,1-4H3;6H,4-5H2,1-3H3;5H2,1-4H3;6H,3-5H2,1-2H3;5-7H,4H2,1-3H3;6H,3-5H2,1-2H3;5-6H,2-4H2,1H3;5H,4H2,1-3H3;4-5H,3H2,1-2H3;4H,3H2,1-2H3
InChIKeyNMKZNKDMEJWZSB-UHFFFAOYSA-N
XLogP18.20
TPSA788.05 Ų
H-Bond Donors11
H-Bond Acceptors42
Rotatable Bonds47
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003453.13
LogP ≤ 518.20
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1042

Analyze 1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one?
The IUPAC name of 1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one (CID 167628778) is 1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one.
What is the SMILES notation for 1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one?
The canonical SMILES for 1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one is CC(=O)CC(C)(C)C.CC(=O)N(C)C(C)(C)C.CC(C)(C)CC(=O)C1CCOCC1.CC(C)(C)CC(=O)N1CCOCC1.CC(C)(C)N1CCNC1=O.CC(C)C(=O)CC(C)(C)C.CC(C)CS(=O)(=O)N1CCOCC1.CC(C)N1CCCS1(=O)=O.CC(C)NS(=O)(=O)N1CCN(C)CC1.CCC(=O)CC(C)(C)C.CCNS(=O)(=O)C1CC1.CCNS(=O)(=O)C1CCOCC1.CCNS(=O)(=O)CCOC.CCNS(=O)(=O)N(C)C.CCNS(=O)(=O)NC.CCNS(=O)(=O)NC(C)C.CCNS(C)(=O)=O.CCOC(=O)CC(C)C.CN(C)C(=O)CC(C)(C)C.CN1CCN(C(=O)CC(C)(C)C)CC1.COC(=O)CC(C)(C)C.COCC(=O)CC(C)(C)C.
What is the InChIKey of 1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one?
The InChIKey is NMKZNKDMEJWZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C11H20O2.C10H19NO2.C9H18O.C8H19N3O2S.C8H17NO3S.C8H17NO.C8H16O2.C8H16O.C7H14N2O.C7H15NO3S.C7H15NO.2C7H14O2.C7H14O.C6H13NO2S.C5H14N2O2S.C5H13NO3S.C5H11NO2S.C4H12N2O2S.C3H10N2O2S.C3H9NO2S/c1-11(2,3)9-10(14)13-7-5-12(4)6-8-13;1-11(2,3)8-10(12)9-4-6-13-7-5-9;1-10(2,3)8-9(12)11-4-6-13-7-5-11;1-7(2)8(10)6-9(3,4)5;1-8(2)9-14(12,13)11-6-4-10(3)5-7-11;1-8(2)7-13(10,11)9-3-5-12-6-4-9;1-8(2,3)6-7(10)9(4)5;1-8(2,3)5-7(9)6-10-4;1-5-7(9)6-8(2,3)4;1-7(2,3)9-5-4-8-6(9)10;1-2-8-12(9,10)7-3-5-11-6-4-7;1-6(9)8(5)7(2,3)4;1-7(2,3)5-6(8)9-4;1-4-9-7(8)5-6(2)3;1-6(8)5-7(2,3)4;1-6(2)7-4-3-5-10(7,8)9;1-4-6-10(8,9)7-5(2)3;1-3-6-10(7,8)5-4-9-2;1-2-6-9(7,8)5-3-4-5;1-4-5-9(7,8)6(2)3;1-3-5-8(6,7)4-2;1-3-4-7(2,5)6/h5-9H2,1-4H3;9H,4-8H2,1-3H3;4-8H2,1-3H3;7H,6H2,1-5H3;8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;6H2,1-5H3;5-6H2,1-4H3;5-6H2,1-4H3;4-5H2,1-3H3,(H,8,10);7-8H,2-6H2,1H3;1-5H3;5H2,1-4H3;6H,4-5H2,1-3H3;5H2,1-4H3;6H,3-5H2,1-2H3;5-7H,4H2,1-3H3;6H,3-5H2,1-2H3;5-6H,2-4H2,1H3;5H,4H2,1-3H3;4-5H,3H2,1-2H3;4H,3H2,1-2H3.
What are the key properties of 1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one?
1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one has a molecular weight of 3453.13 g/mol, XLogP of 18.20, 47 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylimidazolidin-2-one;N-tert-butyl-N-methylacetamide;5,5-dimethylhexan-3-one;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;3,3-dimethyl-1-(oxan-4-yl)butan-1-one;4,4-dimethylpentan-2-one;(dimethylsulfamoylamino)ethane;N-ethylcyclopropanesulfonamide;N-ethylmethanesulfonamide;N-ethyl-2-methoxyethanesulfonamide;ethyl 3-methylbutanoate;N-ethyloxane-4-sulfonamide;N-(ethylsulfamoyl)propan-2-amine;1-methoxy-4,4-dimethylpentan-2-one;methyl 3,3-dimethylbutanoate;4-methyl-N-propan-2-ylpiperazine-1-sulfonamide;4-(2-methylpropylsulfonyl)morpholine;N-(methylsulfamoyl)ethanamine;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;N,N,3,3-tetramethylbutanamide;2,5,5-trimethylhexan-3-one is sourced from PubChem (CID 167628778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).