1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide

C17H25N3O4S — CID 95119036

IUPAC1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
SMILESCc1cccc(N([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1
InChIInChI=1S/C17H25N3O4S/c1-12-5-4-6-15(11-12)20(25(3,23)24)13(2)17(22)19-9-7-14(8-10-19)16(18)21/h4-6,11,13-14H,7-10H2,1-3H3,(H2,18,21)/t13-/m0/s1
InChIKeyCBUZACWJBAIVGY-ZDUSSCGKSA-N
MW367.47 g/mol
LogP0.87
Rot. Bonds5

About 1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide

1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide (PubChem CID 95119036) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
PubChem CID95119036
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
SMILESCc1cccc(N([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1
InChIInChI=1S/C17H25N3O4S/c1-12-5-4-6-15(11-12)20(25(3,23)24)13(2)17(22)19-9-7-14(8-10-19)16(18)21/h4-6,11,13-14H,7-10H2,1-3H3,(H2,18,21)/t13-/m0/s1
InChIKeyCBUZACWJBAIVGY-ZDUSSCGKSA-N
XLogP0.87
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95195755
1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95186261
N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
CID 95119028
N-(3-methylphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 50946741
1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 8991567
N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95196387
N-(3-methylphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide
CID 95118898
ethyl 1-[2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxylate
CID 2980911
N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 1251029
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide
CID 95118493
(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 95118270
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118554

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide (CID 95119036) is 1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide is Cc1cccc(N([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1.
What is the InChIKey of 1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
The InChIKey is CBUZACWJBAIVGY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-12-5-4-6-15(11-12)20(25(3,23)24)13(2)17(22)19-9-7-14(8-10-19)16(18)21/h4-6,11,13-14H,7-10H2,1-3H3,(H2,18,21)/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide?
1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 95119036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).