2-(ethylsulfonylmethyl)oxirane

C5H10O3S — CID 12640995

IUPAC2-(ethylsulfonylmethyl)oxirane
SMILESCCS(=O)(=O)CC1CO1
InChIInChI=1S/C5H10O3S/c1-2-9(6,7)4-5-3-8-5/h5H,2-4H2,1H3
InChIKeyQGVQRPWSCWNKBW-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.18
Rot. Bonds3

About 2-(ethylsulfonylmethyl)oxirane

2-(ethylsulfonylmethyl)oxirane (PubChem CID 12640995) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)oxirane.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)oxirane
PubChem CID12640995
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2-(ethylsulfonylmethyl)oxirane
SMILESCCS(=O)(=O)CC1CO1
InChIInChI=1S/C5H10O3S/c1-2-9(6,7)4-5-3-8-5/h5H,2-4H2,1H3
InChIKeyQGVQRPWSCWNKBW-UHFFFAOYSA-N
XLogP-0.18
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(ethylsulfonylmethyl)oxirane 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-(ethylsulfonylmethyl)oxirane?
The IUPAC name of 2-(ethylsulfonylmethyl)oxirane (CID 12640995) is 2-(ethylsulfonylmethyl)oxirane.
What is the SMILES notation for 2-(ethylsulfonylmethyl)oxirane?
The canonical SMILES for 2-(ethylsulfonylmethyl)oxirane is CCS(=O)(=O)CC1CO1.
What is the InChIKey of 2-(ethylsulfonylmethyl)oxirane?
The InChIKey is QGVQRPWSCWNKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-2-9(6,7)4-5-3-8-5/h5H,2-4H2,1H3.
What are the key properties of 2-(ethylsulfonylmethyl)oxirane?
2-(ethylsulfonylmethyl)oxirane has a molecular weight of 150.20 g/mol, XLogP of -0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)oxirane is sourced from PubChem (CID 12640995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).