2-(methoxymethyl)thiolane 1,1-dioxide

C6H12O3S — CID 155183715

IUPAC2-(methoxymethyl)thiolane 1,1-dioxide
SMILESCOCC1CCCS1(=O)=O
InChIInChI=1S/C6H12O3S/c1-9-5-6-3-2-4-10(6,7)8/h6H,2-5H2,1H3
InChIKeyXUEMJNWYQJJAAT-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.21
Rot. Bonds2

About 2-(methoxymethyl)thiolane 1,1-dioxide

2-(methoxymethyl)thiolane 1,1-dioxide (PubChem CID 155183715) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-(methoxymethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(methoxymethyl)thiolane 1,1-dioxide
PubChem CID155183715
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name2-(methoxymethyl)thiolane 1,1-dioxide
SMILESCOCC1CCCS1(=O)=O
InChIInChI=1S/C6H12O3S/c1-9-5-6-3-2-4-10(6,7)8/h6H,2-5H2,1H3
InChIKeyXUEMJNWYQJJAAT-UHFFFAOYSA-N
XLogP0.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(methoxymethyl)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 2-(methoxymethyl)thiolane 1,1-dioxide?
The IUPAC name of 2-(methoxymethyl)thiolane 1,1-dioxide (CID 155183715) is 2-(methoxymethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(methoxymethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(methoxymethyl)thiolane 1,1-dioxide is COCC1CCCS1(=O)=O.
What is the InChIKey of 2-(methoxymethyl)thiolane 1,1-dioxide?
The InChIKey is XUEMJNWYQJJAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-9-5-6-3-2-4-10(6,7)8/h6H,2-5H2,1H3.
What are the key properties of 2-(methoxymethyl)thiolane 1,1-dioxide?
2-(methoxymethyl)thiolane 1,1-dioxide has a molecular weight of 164.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 155183715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).