(2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide

C14H21N3O3S — CID 103808975

IUPAC(2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCN2)cc1
InChIInChI=1S/C14H21N3O3S/c1-2-16-21(19,20)12-8-6-11(7-9-12)17-14(18)13-5-3-4-10-15-13/h6-9,13,15-16H,2-5,10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyZIGBATFEDXAYPE-ZDUSSCGKSA-N
MW311.41 g/mol
LogP1.07
Rot. Bonds5

About (2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide

(2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide (PubChem CID 103808975) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide
PubChem CID103808975
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCN2)cc1
InChIInChI=1S/C14H21N3O3S/c1-2-16-21(19,20)12-8-6-11(7-9-12)17-14(18)13-5-3-4-10-15-13/h6-9,13,15-16H,2-5,10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyZIGBATFEDXAYPE-ZDUSSCGKSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 103795165
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide
CID 119270164
N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119315410
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
(2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide
CID 103813229
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide (CID 103808975) is (2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide is CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCN2)cc1.
What is the InChIKey of (2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide?
The InChIKey is ZIGBATFEDXAYPE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-16-21(19,20)12-8-6-11(7-9-12)17-14(18)13-5-3-4-10-15-13/h6-9,13,15-16H,2-5,10H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide?
(2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 103808975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).