N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide

C14H18N2O4S — CID 76873147

IUPACN-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C14H18N2O4S/c1-9-3-5-11(21(2,19)20)7-12(9)16-14(18)10-4-6-13(17)15-8-10/h3,5,7,10H,4,6,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyTUIIQWDIVYJTEI-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.86
Rot. Bonds3

About N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide

N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 76873147) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID76873147
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C14H18N2O4S/c1-9-3-5-11(21(2,19)20)7-12(9)16-14(18)10-4-6-13(17)15-8-10/h3,5,7,10H,4,6,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyTUIIQWDIVYJTEI-UHFFFAOYSA-N
XLogP0.86
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-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

N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide
CID 76891188
N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
CID 43703421
N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982712
N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 79040523
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 51550537
methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729169
N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
N-(4-methyl-3-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 74570841
2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
CID 64824704
N-(2-chloro-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 55150235
N-[2-methyl-5-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982103
N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
CID 78281148

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide (CID 76873147) is N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is TUIIQWDIVYJTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-9-3-5-11(21(2,19)20)7-12(9)16-14(18)10-4-6-13(17)15-8-10/h3,5,7,10H,4,6,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide?
N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 76873147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).