(3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide

C14H18N2O4S2 — CID 94186669

IUPAC(3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cccs1)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H18N2O4S2/c17-12-8-10(9-16(12)11-4-1-2-5-11)14(18)15-22(19,20)13-6-3-7-21-13/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,15,18)/t10-/m0/s1
InChIKeyOZBBRPHDTYMUIH-JTQLQIEISA-N
MW342.44 g/mol
LogP1.34
Rot. Bonds4

About (3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide

(3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide (PubChem CID 94186669) has the molecular formula C14H18N2O4S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide
PubChem CID94186669
Molecular FormulaC14H18N2O4S2
Molecular Weight342.44 g/mol
Exact Mass342.07
IUPAC Name(3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cccs1)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H18N2O4S2/c17-12-8-10(9-16(12)11-4-1-2-5-11)14(18)15-22(19,20)13-6-3-7-21-13/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,15,18)/t10-/m0/s1
InChIKeyOZBBRPHDTYMUIH-JTQLQIEISA-N
XLogP1.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide
CID 136536036
N-[2-[[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 36762936
1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
CID 46566073
N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 47824015
methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 86917257
1-cyclopentyl-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 17081286
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110612385
1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide
CID 86798672
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide (CID 94186669) is (3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide is O=C(NS(=O)(=O)c1cccs1)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide?
The InChIKey is OZBBRPHDTYMUIH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O4S2/c17-12-8-10(9-16(12)11-4-1-2-5-11)14(18)15-22(19,20)13-6-3-7-21-13/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,15,18)/t10-/m0/s1.
What are the key properties of (3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide?
(3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide is sourced from PubChem (CID 94186669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).