1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol

C11H17NOS2 — CID 2777764

IUPAC1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol
SMILESOC(CSc1cccs1)CN1CCCC1
InChIInChI=1S/C11H17NOS2/c13-10(8-12-5-1-2-6-12)9-15-11-4-3-7-14-11/h3-4,7,10,13H,1-2,5-6,8-9H2
InChIKeyIRUHWTMTUBNYIU-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.30
Rot. Bonds5

About 1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol

1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol (PubChem CID 2777764) has the molecular formula C11H17NOS2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol
PubChem CID2777764
Molecular FormulaC11H17NOS2
Molecular Weight243.40 g/mol
Exact Mass243.08
IUPAC Name1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol
SMILESOC(CSc1cccs1)CN1CCCC1
InChIInChI=1S/C11H17NOS2/c13-10(8-12-5-1-2-6-12)9-15-11-4-3-7-14-11/h3-4,7,10,13H,1-2,5-6,8-9H2
InChIKeyIRUHWTMTUBNYIU-UHFFFAOYSA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol (CID 2777764) is 1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol is OC(CSc1cccs1)CN1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol?
The InChIKey is IRUHWTMTUBNYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS2/c13-10(8-12-5-1-2-6-12)9-15-11-4-3-7-14-11/h3-4,7,10,13H,1-2,5-6,8-9H2.
What are the key properties of 1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol?
1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol has a molecular weight of 243.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 2777764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).