(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate

C9H9ClNO4S2- — CID 7063076

IUPAC(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
SMILESO=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClNO4S2/c10-7-3-4-8(16-7)17(14,15)11-5-1-2-6(11)9(12)13/h3-4,6H,1-2,5H2,(H,12,13)/p-1/t6-/m0/s1
InChIKeyUYVXUYVAIIWBSW-LURJTMIESA-M
MW294.76 g/mol
LogP0.30
Rot. Bonds3

About (2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate

(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 7063076) has the molecular formula C9H9ClNO4S2- and a molecular weight of 294.76 g/mol. Its IUPAC name is (2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
PubChem CID7063076
Molecular FormulaC9H9ClNO4S2-
Molecular Weight294.76 g/mol
Exact Mass293.97
IUPAC Name(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
SMILESO=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClNO4S2/c10-7-3-4-8(16-7)17(14,15)11-5-1-2-6(11)9(12)13/h3-4,6H,1-2,5H2,(H,12,13)/p-1/t6-/m0/s1
InChIKeyUYVXUYVAIIWBSW-LURJTMIESA-M
XLogP0.30
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate 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

1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 4522839
[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 16801813
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614870
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 51648857
cyanomethyl 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 42938484
benzyl 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 3866320
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 118467207
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 31700861
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 51648877

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of (2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate (CID 7063076) is (2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for (2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for (2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate is O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of (2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is UYVXUYVAIIWBSW-LURJTMIESA-M. The full InChI is InChI=1S/C9H10ClNO4S2/c10-7-3-4-8(16-7)17(14,15)11-5-1-2-6(11)9(12)13/h3-4,6H,1-2,5H2,(H,12,13)/p-1/t6-/m0/s1.
What are the key properties of (2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate?
(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate has a molecular weight of 294.76 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 7063076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).