3-thiophen-2-ylsulfanylpyrrolidine

C8H11NS2 — CID 62329307

IUPAC3-thiophen-2-ylsulfanylpyrrolidine
SMILESc1csc(SC2CCNC2)c1
InChIInChI=1S/C8H11NS2/c1-2-8(10-5-1)11-7-3-4-9-6-7/h1-2,5,7,9H,3-4,6H2
InChIKeyFKTZGKOQQXPKDZ-UHFFFAOYSA-N
MW185.32 g/mol
LogP2.20
Rot. Bonds2

About 3-thiophen-2-ylsulfanylpyrrolidine

3-thiophen-2-ylsulfanylpyrrolidine (PubChem CID 62329307) has the molecular formula C8H11NS2 and a molecular weight of 185.32 g/mol. Its IUPAC name is 3-thiophen-2-ylsulfanylpyrrolidine.

Molecular Properties

Compound Name3-thiophen-2-ylsulfanylpyrrolidine
PubChem CID62329307
Molecular FormulaC8H11NS2
Molecular Weight185.32 g/mol
Exact Mass185.03
IUPAC Name3-thiophen-2-ylsulfanylpyrrolidine
SMILESc1csc(SC2CCNC2)c1
InChIInChI=1S/C8H11NS2/c1-2-8(10-5-1)11-7-3-4-9-6-7/h1-2,5,7,9H,3-4,6H2
InChIKeyFKTZGKOQQXPKDZ-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylsulfanylpyrrolidine?
The IUPAC name of 3-thiophen-2-ylsulfanylpyrrolidine (CID 62329307) is 3-thiophen-2-ylsulfanylpyrrolidine.
What is the SMILES notation for 3-thiophen-2-ylsulfanylpyrrolidine?
The canonical SMILES for 3-thiophen-2-ylsulfanylpyrrolidine is c1csc(SC2CCNC2)c1.
What is the InChIKey of 3-thiophen-2-ylsulfanylpyrrolidine?
The InChIKey is FKTZGKOQQXPKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS2/c1-2-8(10-5-1)11-7-3-4-9-6-7/h1-2,5,7,9H,3-4,6H2.
What are the key properties of 3-thiophen-2-ylsulfanylpyrrolidine?
3-thiophen-2-ylsulfanylpyrrolidine has a molecular weight of 185.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylsulfanylpyrrolidine is sourced from PubChem (CID 62329307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).