(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide

C12H17N3O3S — CID 61178611

IUPAC(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C12H17N3O3S/c1-13-19(17,18)10-6-4-9(5-7-10)15-12(16)11-3-2-8-14-11/h4-7,11,13-14H,2-3,8H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyJPYGEEBKVOBWEW-NSHDSACASA-N
MW283.35 g/mol
LogP0.29
Rot. Bonds4

About (2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide

(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 61178611) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is (2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID61178611
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C12H17N3O3S/c1-13-19(17,18)10-6-4-9(5-7-10)15-12(16)11-3-2-8-14-11/h4-7,11,13-14H,2-3,8H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyJPYGEEBKVOBWEW-NSHDSACASA-N
XLogP0.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 103795165
(2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103808975
N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233916
(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103809348
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide
CID 104900564
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 104912791

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide (CID 61178611) is (2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2)cc1.
What is the InChIKey of (2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is JPYGEEBKVOBWEW-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-13-19(17,18)10-6-4-9(5-7-10)15-12(16)11-3-2-8-14-11/h4-7,11,13-14H,2-3,8H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61178611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).