N-(2-methylsulfonylphenyl)piperidine-3-carboxamide

C13H18N2O3S — CID 43709740

IUPACN-(2-methylsulfonylphenyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)C1CCCNC1
InChIInChI=1S/C13H18N2O3S/c1-19(17,18)12-7-3-2-6-11(12)15-13(16)10-5-4-8-14-9-10/h2-3,6-7,10,14H,4-5,8-9H2,1H3,(H,15,16)
InChIKeyHKFOLRBBOWGQRO-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.03
Rot. Bonds3

About N-(2-methylsulfonylphenyl)piperidine-3-carboxamide

N-(2-methylsulfonylphenyl)piperidine-3-carboxamide (PubChem CID 43709740) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)piperidine-3-carboxamide
PubChem CID43709740
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(2-methylsulfonylphenyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)C1CCCNC1
InChIInChI=1S/C13H18N2O3S/c1-19(17,18)12-7-3-2-6-11(12)15-13(16)10-5-4-8-14-9-10/h2-3,6-7,10,14H,4-5,8-9H2,1H3,(H,15,16)
InChIKeyHKFOLRBBOWGQRO-UHFFFAOYSA-N
XLogP1.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methylsulfonylphenyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 81118453
N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
CID 60945170
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-[2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 18071955
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
N-(2-benzamidophenyl)piperidine-3-carboxamide;hydrochloride
CID 119282577
(3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 81124526
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride
CID 116814067
N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
CID 119302550
N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119341252

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylphenyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methylsulfonylphenyl)piperidine-3-carboxamide (CID 43709740) is N-(2-methylsulfonylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methylsulfonylphenyl)piperidine-3-carboxamide is CS(=O)(=O)c1ccccc1NC(=O)C1CCCNC1.
What is the InChIKey of N-(2-methylsulfonylphenyl)piperidine-3-carboxamide?
The InChIKey is HKFOLRBBOWGQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-19(17,18)12-7-3-2-6-11(12)15-13(16)10-5-4-8-14-9-10/h2-3,6-7,10,14H,4-5,8-9H2,1H3,(H,15,16).
What are the key properties of N-(2-methylsulfonylphenyl)piperidine-3-carboxamide?
N-(2-methylsulfonylphenyl)piperidine-3-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43709740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).