2-methylsulfonyloxane

C6H12O3S — CID 69274484

IUPAC2-methylsulfonyloxane
SMILESCS(=O)(=O)C1CCCCO1
InChIInChI=1S/C6H12O3S/c1-10(7,8)6-4-2-3-5-9-6/h6H,2-5H2,1H3
InChIKeyWHRWWUSWKVTGHL-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.56
Rot. Bonds1

About 2-methylsulfonyloxane

2-methylsulfonyloxane (PubChem CID 69274484) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-methylsulfonyloxane.

Molecular Properties

Compound Name2-methylsulfonyloxane
PubChem CID69274484
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name2-methylsulfonyloxane
SMILESCS(=O)(=O)C1CCCCO1
InChIInChI=1S/C6H12O3S/c1-10(7,8)6-4-2-3-5-9-6/h6H,2-5H2,1H3
InChIKeyWHRWWUSWKVTGHL-UHFFFAOYSA-N
XLogP0.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methylsulfonyloxane 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-methylsulfonyloxane?
The IUPAC name of 2-methylsulfonyloxane (CID 69274484) is 2-methylsulfonyloxane.
What is the SMILES notation for 2-methylsulfonyloxane?
The canonical SMILES for 2-methylsulfonyloxane is CS(=O)(=O)C1CCCCO1.
What is the InChIKey of 2-methylsulfonyloxane?
The InChIKey is WHRWWUSWKVTGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-10(7,8)6-4-2-3-5-9-6/h6H,2-5H2,1H3.
What are the key properties of 2-methylsulfonyloxane?
2-methylsulfonyloxane has a molecular weight of 164.23 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyloxane is sourced from PubChem (CID 69274484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).