2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide

C14H20N2O3S — CID 3434753

IUPAC2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCCCC2C)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-6-8-13(9-7-11)20(18,19)15-14(17)16-10-4-3-5-12(16)2/h6-9,12H,3-5,10H2,1-2H3,(H,15,17)
InChIKeyWHRYSDFMRZTUIO-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.27
Rot. Bonds2

About 2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide

2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide (PubChem CID 3434753) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
PubChem CID3434753
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCCCC2C)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-6-8-13(9-7-11)20(18,19)15-14(17)16-10-4-3-5-12(16)2/h6-9,12H,3-5,10H2,1-2H3,(H,15,17)
InChIKeyWHRYSDFMRZTUIO-UHFFFAOYSA-N
XLogP2.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43835525
(4aS,8aR)-N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 27055457
N-(4-methylphenyl)sulfonyl-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 110874698
4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
CID 110350771
(2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 71475860
4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110394017
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374
1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea
CID 23275206
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110748344
1-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 916360

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide (CID 3434753) is 2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)N2CCCCC2C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
The InChIKey is WHRYSDFMRZTUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-6-8-13(9-7-11)20(18,19)15-14(17)16-10-4-3-5-12(16)2/h6-9,12H,3-5,10H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 3434753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).