1-thiophen-2-ylsulfonylpyrrolidine

C8H11NO2S2 — CID 738068

IUPAC1-thiophen-2-ylsulfonylpyrrolidine
SMILESO=S(=O)(c1cccs1)N1CCCC1
InChIInChI=1S/C8H11NO2S2/c10-13(11,8-4-3-7-12-8)9-5-1-2-6-9/h3-4,7H,1-2,5-6H2
InChIKeyLLOAGOZXNGNYHS-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.53
Rot. Bonds2

About 1-thiophen-2-ylsulfonylpyrrolidine

1-thiophen-2-ylsulfonylpyrrolidine (PubChem CID 738068) has the molecular formula C8H11NO2S2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonylpyrrolidine
PubChem CID738068
Molecular FormulaC8H11NO2S2
Molecular Weight217.31 g/mol
Exact Mass217.02
IUPAC Name1-thiophen-2-ylsulfonylpyrrolidine
SMILESO=S(=O)(c1cccs1)N1CCCC1
InChIInChI=1S/C8H11NO2S2/c10-13(11,8-4-3-7-12-8)9-5-1-2-6-9/h3-4,7H,1-2,5-6H2
InChIKeyLLOAGOZXNGNYHS-UHFFFAOYSA-N
XLogP1.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonylpyrrolidine?
The IUPAC name of 1-thiophen-2-ylsulfonylpyrrolidine (CID 738068) is 1-thiophen-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 1-thiophen-2-ylsulfonylpyrrolidine?
The canonical SMILES for 1-thiophen-2-ylsulfonylpyrrolidine is O=S(=O)(c1cccs1)N1CCCC1.
What is the InChIKey of 1-thiophen-2-ylsulfonylpyrrolidine?
The InChIKey is LLOAGOZXNGNYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S2/c10-13(11,8-4-3-7-12-8)9-5-1-2-6-9/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-thiophen-2-ylsulfonylpyrrolidine?
1-thiophen-2-ylsulfonylpyrrolidine has a molecular weight of 217.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 738068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).