(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide

C13H19N3O3S — CID 38150508

IUPAC(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
SMILESC[C@H]1CCCN(C(=O)Nc2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C13H19N3O3S/c1-10-4-3-7-16(9-10)13(17)15-11-5-2-6-12(8-11)20(14,18)19/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17)(H2,14,18,19)/t10-/m0/s1
InChIKeyUIADWKBHTNLQPP-JTQLQIEISA-N
MW297.38 g/mol
LogP1.60
Rot. Bonds2

About (3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide

(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide (PubChem CID 38150508) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
PubChem CID38150508
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
SMILESC[C@H]1CCCN(C(=O)Nc2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C13H19N3O3S/c1-10-4-3-7-16(9-10)13(17)15-11-5-2-6-12(8-11)20(14,18)19/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17)(H2,14,18,19)/t10-/m0/s1
InChIKeyUIADWKBHTNLQPP-JTQLQIEISA-N
XLogP1.60
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 47185999
N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide
CID 106912818
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347
(2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923074
3-[3-[(3-methylpiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115277726
3-methyl-N-(3-sulfamoylphenyl)oxolane-2-carboxamide
CID 81424664
(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 94190145
3-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43235652
(3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124846214
3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119919395
4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide
CID 79158927
4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60635809

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide (CID 38150508) is (3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide is C[C@H]1CCCN(C(=O)Nc2cccc(S(N)(=O)=O)c2)C1.
What is the InChIKey of (3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide?
The InChIKey is UIADWKBHTNLQPP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-10-4-3-7-16(9-10)13(17)15-11-5-2-6-12(8-11)20(14,18)19/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17)(H2,14,18,19)/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide?
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 38150508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).