(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine

C12H12ClNO2S3 — CID 51550798

IUPAC(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C12H12ClNO2S3/c13-11-5-6-12(18-11)19(15,16)14-7-1-3-9(14)10-4-2-8-17-10/h2,4-6,8-9H,1,3,7H2/t9-/m0/s1
InChIKeyUGTBIAJCFVRLNI-VIFPVBQESA-N
MW333.89 g/mol
LogP3.99
Rot. Bonds3

About (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine

(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine (PubChem CID 51550798) has the molecular formula C12H12ClNO2S3 and a molecular weight of 333.89 g/mol. Its IUPAC name is (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine
PubChem CID51550798
Molecular FormulaC12H12ClNO2S3
Molecular Weight333.89 g/mol
Exact Mass332.97
IUPAC Name(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C12H12ClNO2S3/c13-11-5-6-12(18-11)19(15,16)14-7-1-3-9(14)10-4-2-8-17-10/h2,4-6,8-9H,1,3,7H2/t9-/m0/s1
InChIKeyUGTBIAJCFVRLNI-VIFPVBQESA-N
XLogP3.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 47387683
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873160
1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 50746966
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
1-(benzenesulfonyl)-2-thiophen-2-ylazepane
CID 22586782
1-(4-nitrophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 43001355
1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 18170893
(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 7063076
2-(benzenesulfonylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
CID 90585727
5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole
CID 90564742
1-(4-chlorobutylsulfonyl)-2-thiophen-2-ylpyrrolidine
CID 116815219
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 68616001

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine?
The IUPAC name of (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine (CID 51550798) is (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine is O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H]1c1cccs1.
What is the InChIKey of (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine?
The InChIKey is UGTBIAJCFVRLNI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12ClNO2S3/c13-11-5-6-12(18-11)19(15,16)14-7-1-3-9(14)10-4-2-8-17-10/h2,4-6,8-9H,1,3,7H2/t9-/m0/s1.
What are the key properties of (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine?
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine has a molecular weight of 333.89 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 51550798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).