1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine

C9H12ClNO4S3 — CID 90584698

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C9H12ClNO4S3/c1-17(12,13)7-4-5-11(6-7)18(14,15)9-3-2-8(10)16-9/h2-3,7H,4-6H2,1H3
InChIKeyIQEJJWUEKLLQKN-UHFFFAOYSA-N
MW329.85 g/mol
LogP1.21
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine

1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine (PubChem CID 90584698) has the molecular formula C9H12ClNO4S3 and a molecular weight of 329.85 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
PubChem CID90584698
Molecular FormulaC9H12ClNO4S3
Molecular Weight329.85 g/mol
Exact Mass328.96
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C9H12ClNO4S3/c1-17(12,13)7-4-5-11(6-7)18(14,15)9-3-2-8(10)16-9/h2-3,7H,4-6H2,1H3
InChIKeyIQEJJWUEKLLQKN-UHFFFAOYSA-N
XLogP1.21
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
CID 172905067
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
1-(5-chlorothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779861
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde
CID 63845902
1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77039217
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine
CID 90595170
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
methyl 2-[(3S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]sulfanylacetate
CID 99982681
(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95267954
4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole
CID 71837181

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine (CID 90584698) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine is CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine?
The InChIKey is IQEJJWUEKLLQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO4S3/c1-17(12,13)7-4-5-11(6-7)18(14,15)9-3-2-8(10)16-9/h2-3,7H,4-6H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine?
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine has a molecular weight of 329.85 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine is sourced from PubChem (CID 90584698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).