N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide

C13H19N3O3S — CID 60945170

IUPACN-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
SMILESCc1c(NC(=O)C2CCCNC2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H19N3O3S/c1-9-11(5-2-6-12(9)20(14,18)19)16-13(17)10-4-3-7-15-8-10/h2,5-6,10,15H,3-4,7-8H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyHCGSEIVLBBPRJU-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.58
Rot. Bonds3

About N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide

N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide (PubChem CID 60945170) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
PubChem CID60945170
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
SMILESCc1c(NC(=O)C2CCCNC2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H19N3O3S/c1-9-11(5-2-6-12(9)20(14,18)19)16-13(17)10-4-3-7-15-8-10/h2,5-6,10,15H,3-4,7-8H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyHCGSEIVLBBPRJU-UHFFFAOYSA-N
XLogP0.58
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740
N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
CID 119302550
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
(3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 81118453
N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide
CID 103808589
(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 81124714
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide
CID 119315223
2-amino-N-(2-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64823773
(3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 81125256
(3S)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 81125110
N-(2-methyl-3-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61365433

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide (CID 60945170) is N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide is Cc1c(NC(=O)C2CCCNC2)cccc1S(N)(=O)=O.
What is the InChIKey of N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide?
The InChIKey is HCGSEIVLBBPRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-11(5-2-6-12(9)20(14,18)19)16-13(17)10-4-3-7-15-8-10/h2,5-6,10,15H,3-4,7-8H2,1H3,(H,16,17)(H2,14,18,19).
What are the key properties of N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide?
N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 60945170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).