1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine

C14H15NO2S2 — CID 2805670

IUPAC1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine
SMILESO=S(=O)(c1ccccc1)N1CCCC1c1cccs1
InChIInChI=1S/C14H15NO2S2/c16-19(17,12-6-2-1-3-7-12)15-10-4-8-13(15)14-9-5-11-18-14/h1-3,5-7,9,11,13H,4,8,10H2
InChIKeyCFOXKOYGJCNBDS-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.27
Rot. Bonds3

About 1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine

1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine (PubChem CID 2805670) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine
PubChem CID2805670
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC Name1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine
SMILESO=S(=O)(c1ccccc1)N1CCCC1c1cccs1
InChIInChI=1S/C14H15NO2S2/c16-19(17,12-6-2-1-3-7-12)15-10-4-8-13(15)14-9-5-11-18-14/h1-3,5-7,9,11,13H,4,8,10H2
InChIKeyCFOXKOYGJCNBDS-UHFFFAOYSA-N
XLogP3.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-((4-Chlorophenyl)sulfonyl)-2-(2-thienyl)pyrrolidine
CID 2805672
N-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2813027
(2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 6919104
US10807974, Example 14
CID 130344852
US10807974, Example 15
CID 130344869
N-(2-cyanoethyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519187
Benzenesulfonamide, N-(2-thienylmethyl)-
CID 2820601
N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 2531261
N-benzyl-N-methylthiophene-2-sulfonamide
CID 3157268
(2R)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 6929479
N-(2-cyanoethyl)-3-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 145983207
N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 2813900

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine?
The IUPAC name of 1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine (CID 2805670) is 1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for 1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine is O=S(=O)(c1ccccc1)N1CCCC1c1cccs1.
What is the InChIKey of 1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine?
The InChIKey is CFOXKOYGJCNBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c16-19(17,12-6-2-1-3-7-12)15-10-4-8-13(15)14-9-5-11-18-14/h1-3,5-7,9,11,13H,4,8,10H2.
What are the key properties of 1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine?
1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine has a molecular weight of 293.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 2805670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).