3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide

C14H21N3O3S — CID 62339447

IUPAC3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H21N3O3S/c1-10-3-2-8-16-13(10)14(18)17-9-11-4-6-12(7-5-11)21(15,19)20/h4-7,10,13,16H,2-3,8-9H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeyVGZXTLSTYGXBQS-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.34
Rot. Bonds4

About 3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide

3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 62339447) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
PubChem CID62339447
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H21N3O3S/c1-10-3-2-8-16-13(10)14(18)17-9-11-4-6-12(7-5-11)21(15,19)20/h4-7,10,13,16H,2-3,8-9H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeyVGZXTLSTYGXBQS-UHFFFAOYSA-N
XLogP0.34
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 22691434
N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263305
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 114422610
5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 107068397
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide
CID 107067835
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 102779276
2-amino-N-[(4-sulfamoylphenyl)methyl]cyclopentane-1-carboxamide
CID 64818110
N-(2-amino-2-oxoethyl)-3-methylpiperidine-2-carboxamide
CID 62338928
2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 75364867
3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide
CID 79551044
2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4254038

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide (CID 62339447) is 3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide is CC1CCCNC1C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is VGZXTLSTYGXBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-3-2-8-16-13(10)14(18)17-9-11-4-6-12(7-5-11)21(15,19)20/h4-7,10,13,16H,2-3,8-9H2,1H3,(H,17,18)(H2,15,19,20).
What are the key properties of 3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide?
3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 62339447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).