3-(methylsulfonylmethyl)oxetane

C5H10O3S — CID 117032062

IUPAC3-(methylsulfonylmethyl)oxetane
SMILESCS(=O)(=O)CC1COC1
InChIInChI=1S/C5H10O3S/c1-9(6,7)4-5-2-8-3-5/h5H,2-4H2,1H3
InChIKeyCVJPLMHFRMNWET-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.32
Rot. Bonds2

About 3-(methylsulfonylmethyl)oxetane

3-(methylsulfonylmethyl)oxetane (PubChem CID 117032062) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)oxetane.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)oxetane
PubChem CID117032062
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name3-(methylsulfonylmethyl)oxetane
SMILESCS(=O)(=O)CC1COC1
InChIInChI=1S/C5H10O3S/c1-9(6,7)4-5-2-8-3-5/h5H,2-4H2,1H3
InChIKeyCVJPLMHFRMNWET-UHFFFAOYSA-N
XLogP-0.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(methylsulfonylmethyl)oxetane 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-(methylsulfonylmethyl)oxetane?
The IUPAC name of 3-(methylsulfonylmethyl)oxetane (CID 117032062) is 3-(methylsulfonylmethyl)oxetane.
What is the SMILES notation for 3-(methylsulfonylmethyl)oxetane?
The canonical SMILES for 3-(methylsulfonylmethyl)oxetane is CS(=O)(=O)CC1COC1.
What is the InChIKey of 3-(methylsulfonylmethyl)oxetane?
The InChIKey is CVJPLMHFRMNWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-9(6,7)4-5-2-8-3-5/h5H,2-4H2,1H3.
What are the key properties of 3-(methylsulfonylmethyl)oxetane?
3-(methylsulfonylmethyl)oxetane has a molecular weight of 150.20 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)oxetane is sourced from PubChem (CID 117032062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).