(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C15H22N2O3S — CID 30156240

IUPAC(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C)C2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-6-8-14(9-7-12)21(19,20)17-10-4-5-13(11-17)15(18)16(2)3/h6-9,13H,4-5,10-11H2,1-3H3/t13-/m0/s1
InChIKeyUPDWTZSPAJUOQD-ZDUSSCGKSA-N
MW310.42 g/mol
LogP1.48
Rot. Bonds3

About (3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 30156240) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID30156240
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C)C2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-6-8-14(9-7-12)21(19,20)17-10-4-5-13(11-17)15(18)16(2)3/h6-9,13H,4-5,10-11H2,1-3H3/t13-/m0/s1
InChIKeyUPDWTZSPAJUOQD-ZDUSSCGKSA-N
XLogP1.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-methyl-N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100665394
(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
(3S)-N-[4-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125072575
(3R)-N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156195
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 86945874
(3S)-N'-(4-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473922
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 30156240) is (3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C)C2)cc1.
What is the InChIKey of (3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is UPDWTZSPAJUOQD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12-6-8-14(9-7-12)21(19,20)17-10-4-5-13(11-17)15(18)16(2)3/h6-9,13H,4-5,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 30156240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).