(3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide

C14H21N3O3S — CID 81118453

IUPAC(3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide
SMILESCCNS(=O)(=O)c1ccccc1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C14H21N3O3S/c1-2-16-21(19,20)13-8-4-3-7-12(13)17-14(18)11-6-5-9-15-10-11/h3-4,7-8,11,15-16H,2,5-6,9-10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyHLPKZOLXMHUOLW-NSHDSACASA-N
MW311.41 g/mol
LogP0.92
Rot. Bonds5

About (3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide

(3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 81118453) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide
PubChem CID81118453
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide
SMILESCCNS(=O)(=O)c1ccccc1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C14H21N3O3S/c1-2-16-21(19,20)13-8-4-3-7-12(13)17-14(18)11-6-5-9-15-10-11/h3-4,7-8,11,15-16H,2,5-6,9-10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyHLPKZOLXMHUOLW-NSHDSACASA-N
XLogP0.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
CID 60945170
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-(2-benzamidophenyl)piperidine-3-carboxamide;hydrochloride
CID 119282577
N-[2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 18071955
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
(3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 81124526
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide
CID 119266543
N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
CID 119302550
N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide
CID 119869983
2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride
CID 116814067

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide (CID 81118453) is (3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide is CCNS(=O)(=O)c1ccccc1NC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is HLPKZOLXMHUOLW-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-16-21(19,20)13-8-4-3-7-12(13)17-14(18)11-6-5-9-15-10-11/h3-4,7-8,11,15-16H,2,5-6,9-10H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide?
(3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 81118453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).