3-(2-methylphenoxy)thiolane 1,1-dioxide

C11H14O3S — CID 2831195

IUPAC3-(2-methylphenoxy)thiolane 1,1-dioxide
SMILESCc1ccccc1OC1CCS(=O)(=O)C1
InChIInChI=1S/C11H14O3S/c1-9-4-2-3-5-11(9)14-10-6-7-15(12,13)8-10/h2-5,10H,6-8H2,1H3
InChIKeyKPSIRPMVAVWAIW-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.56
Rot. Bonds2

About 3-(2-methylphenoxy)thiolane 1,1-dioxide

3-(2-methylphenoxy)thiolane 1,1-dioxide (PubChem CID 2831195) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-(2-methylphenoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-methylphenoxy)thiolane 1,1-dioxide
PubChem CID2831195
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name3-(2-methylphenoxy)thiolane 1,1-dioxide
SMILESCc1ccccc1OC1CCS(=O)(=O)C1
InChIInChI=1S/C11H14O3S/c1-9-4-2-3-5-11(9)14-10-6-7-15(12,13)8-10/h2-5,10H,6-8H2,1H3
InChIKeyKPSIRPMVAVWAIW-UHFFFAOYSA-N
XLogP1.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylphenoxy)thiolane 1,1-dioxide 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-(2-methylphenoxy)thiolane 1,1-dioxide?
The IUPAC name of 3-(2-methylphenoxy)thiolane 1,1-dioxide (CID 2831195) is 3-(2-methylphenoxy)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(2-methylphenoxy)thiolane 1,1-dioxide?
The canonical SMILES for 3-(2-methylphenoxy)thiolane 1,1-dioxide is Cc1ccccc1OC1CCS(=O)(=O)C1.
What is the InChIKey of 3-(2-methylphenoxy)thiolane 1,1-dioxide?
The InChIKey is KPSIRPMVAVWAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-9-4-2-3-5-11(9)14-10-6-7-15(12,13)8-10/h2-5,10H,6-8H2,1H3.
What are the key properties of 3-(2-methylphenoxy)thiolane 1,1-dioxide?
3-(2-methylphenoxy)thiolane 1,1-dioxide has a molecular weight of 226.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 2831195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).