2-ethenylsulfonyloxirane

C4H6O3S — CID 87647122

IUPAC2-ethenylsulfonyloxirane
SMILESC=CS(=O)(=O)C1CO1
InChIInChI=1S/C4H6O3S/c1-2-8(5,6)4-3-7-4/h2,4H,1,3H2
InChIKeyXXZXFBRTFKEKBY-UHFFFAOYSA-N
MW134.16 g/mol
LogP-0.10
Rot. Bonds2

About 2-ethenylsulfonyloxirane

2-ethenylsulfonyloxirane (PubChem CID 87647122) has the molecular formula C4H6O3S and a molecular weight of 134.16 g/mol. Its IUPAC name is 2-ethenylsulfonyloxirane.

Molecular Properties

Compound Name2-ethenylsulfonyloxirane
PubChem CID87647122
Molecular FormulaC4H6O3S
Molecular Weight134.16 g/mol
Exact Mass134.00
IUPAC Name2-ethenylsulfonyloxirane
SMILESC=CS(=O)(=O)C1CO1
InChIInChI=1S/C4H6O3S/c1-2-8(5,6)4-3-7-4/h2,4H,1,3H2
InChIKeyXXZXFBRTFKEKBY-UHFFFAOYSA-N
XLogP-0.10
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-ethenylsulfonyloxirane 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-ethenylsulfonyloxirane?
The IUPAC name of 2-ethenylsulfonyloxirane (CID 87647122) is 2-ethenylsulfonyloxirane.
What is the SMILES notation for 2-ethenylsulfonyloxirane?
The canonical SMILES for 2-ethenylsulfonyloxirane is C=CS(=O)(=O)C1CO1.
What is the InChIKey of 2-ethenylsulfonyloxirane?
The InChIKey is XXZXFBRTFKEKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3S/c1-2-8(5,6)4-3-7-4/h2,4H,1,3H2.
What are the key properties of 2-ethenylsulfonyloxirane?
2-ethenylsulfonyloxirane has a molecular weight of 134.16 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonyloxirane is sourced from PubChem (CID 87647122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).