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

C13H17N3O4S — CID 76891188

IUPACN-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H17N3O4S/c1-8-2-4-10(21(14,19)20)6-11(8)16-13(18)9-3-5-12(17)15-7-9/h2,4,6,9H,3,5,7H2,1H3,(H,15,17)(H,16,18)(H2,14,19,20)
InChIKeySJCSRVDSOQHEGN-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.11
Rot. Bonds3

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

N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 76891188) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID76891188
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H17N3O4S/c1-8-2-4-10(21(14,19)20)6-11(8)16-13(18)9-3-5-12(17)15-7-9/h2,4,6,9H,3,5,7H2,1H3,(H,15,17)(H,16,18)(H2,14,19,20)
InChIKeySJCSRVDSOQHEGN-UHFFFAOYSA-N
XLogP0.11
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide
CID 76873147
N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982712
3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 66008738
N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 79040523
N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983436
5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729169
N-(4-methyl-3-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 74570841
(1S,2S,4S)-N-(2-methyl-5-sulfamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7079751
N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
CID 43703421
N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983267
N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 60651450

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide (CID 76891188) is N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is SJCSRVDSOQHEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-8-2-4-10(21(14,19)20)6-11(8)16-13(18)9-3-5-12(17)15-7-9/h2,4,6,9H,3,5,7H2,1H3,(H,15,17)(H,16,18)(H2,14,19,20).
What are the key properties of N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide?
N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 76891188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).