1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine

C9H12ClNO2S2 — CID 110728237

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
SMILESCC1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNO2S2/c1-7-3-2-6-11(7)15(12,13)9-5-4-8(10)14-9/h4-5,7H,2-3,6H2,1H3
InChIKeyXHHDBTIYYQCCOE-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.57
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine

1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine (PubChem CID 110728237) has the molecular formula C9H12ClNO2S2 and a molecular weight of 265.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
PubChem CID110728237
Molecular FormulaC9H12ClNO2S2
Molecular Weight265.79 g/mol
Exact Mass265.00
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
SMILESCC1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNO2S2/c1-7-3-2-6-11(7)15(12,13)9-5-4-8(10)14-9/h4-5,7H,2-3,6H2,1H3
InChIKeyXHHDBTIYYQCCOE-UHFFFAOYSA-N
XLogP2.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine 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

(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 7063076
1-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316543
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
CID 19682804
5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide
CID 106270508
2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 54882469
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 47387683
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 51550798
1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 50746966
[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 16801813
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873160
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 51648857
2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
CID 90585727

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine (CID 110728237) is 1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine is CC1CCCN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine?
The InChIKey is XHHDBTIYYQCCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S2/c1-7-3-2-6-11(7)15(12,13)9-5-4-8(10)14-9/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine?
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine has a molecular weight of 265.79 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine is sourced from PubChem (CID 110728237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).