3-methylsulfonylcyclopentane-1-thiol

C6H12O2S2 — CID 54343305

IUPAC3-methylsulfonylcyclopentane-1-thiol
SMILESCS(=O)(=O)C1CCC(S)C1
InChIInChI=1S/C6H12O2S2/c1-10(7,8)6-3-2-5(9)4-6/h5-6,9H,2-4H2,1H3
InChIKeyUAMWTTAIRHYPLG-UHFFFAOYSA-N
MW180.29 g/mol
LogP0.88
Rot. Bonds1

About 3-methylsulfonylcyclopentane-1-thiol

3-methylsulfonylcyclopentane-1-thiol (PubChem CID 54343305) has the molecular formula C6H12O2S2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-methylsulfonylcyclopentane-1-thiol.

Molecular Properties

Compound Name3-methylsulfonylcyclopentane-1-thiol
PubChem CID54343305
Molecular FormulaC6H12O2S2
Molecular Weight180.29 g/mol
Exact Mass180.03
IUPAC Name3-methylsulfonylcyclopentane-1-thiol
SMILESCS(=O)(=O)C1CCC(S)C1
InChIInChI=1S/C6H12O2S2/c1-10(7,8)6-3-2-5(9)4-6/h5-6,9H,2-4H2,1H3
InChIKeyUAMWTTAIRHYPLG-UHFFFAOYSA-N
XLogP0.88
TPSA34.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-methylsulfonylcyclopentane-1-thiol 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 3-methylsulfonylcyclopentane-1-thiol?
The IUPAC name of 3-methylsulfonylcyclopentane-1-thiol (CID 54343305) is 3-methylsulfonylcyclopentane-1-thiol.
What is the SMILES notation for 3-methylsulfonylcyclopentane-1-thiol?
The canonical SMILES for 3-methylsulfonylcyclopentane-1-thiol is CS(=O)(=O)C1CCC(S)C1.
What is the InChIKey of 3-methylsulfonylcyclopentane-1-thiol?
The InChIKey is UAMWTTAIRHYPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S2/c1-10(7,8)6-3-2-5(9)4-6/h5-6,9H,2-4H2,1H3.
What are the key properties of 3-methylsulfonylcyclopentane-1-thiol?
3-methylsulfonylcyclopentane-1-thiol has a molecular weight of 180.29 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylcyclopentane-1-thiol is sourced from PubChem (CID 54343305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).