(2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

C10H14N2O3S2 — CID 102391409

IUPAC(2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCCN2)s1
InChIInChI=1S/C10H14N2O3S2/c1-7-4-5-9(16-7)17(14,15)12-10(13)8-3-2-6-11-8/h4-5,8,11H,2-3,6H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyPPAHGJVSTLKLAH-QMMMGPOBSA-N
MW274.37 g/mol
LogP0.61
Rot. Bonds3

About (2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

(2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 102391409) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is (2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID102391409
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name(2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCCN2)s1
InChIInChI=1S/C10H14N2O3S2/c1-7-4-5-9(16-7)17(14,15)12-10(13)8-3-2-6-11-8/h4-5,8,11H,2-3,6H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyPPAHGJVSTLKLAH-QMMMGPOBSA-N
XLogP0.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 146156641
(4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 97223986
N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 138001558
N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide
CID 54953950
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119271224
(2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide
CID 79100245
(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide
CID 45112179
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
N-cyclopentyl-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112990935
N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233916
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (CID 102391409) is (2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCCN2)s1.
What is the InChIKey of (2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is PPAHGJVSTLKLAH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-7-4-5-9(16-7)17(14,15)12-10(13)8-3-2-6-11-8/h4-5,8,11H,2-3,6H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102391409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).