2-[2-(benzenesulfonyl)ethyl]oxirane

C10H12O3S — CID 11356304

IUPAC2-[2-(benzenesulfonyl)ethyl]oxirane
SMILESO=S(=O)(CCC1CO1)c1ccccc1
InChIInChI=1S/C10H12O3S/c11-14(12,7-6-9-8-13-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChIKeyKIQYSHHJXJOUMS-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.25
Rot. Bonds4

About 2-[2-(benzenesulfonyl)ethyl]oxirane

2-[2-(benzenesulfonyl)ethyl]oxirane (PubChem CID 11356304) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)ethyl]oxirane.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)ethyl]oxirane
PubChem CID11356304
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name2-[2-(benzenesulfonyl)ethyl]oxirane
SMILESO=S(=O)(CCC1CO1)c1ccccc1
InChIInChI=1S/C10H12O3S/c11-14(12,7-6-9-8-13-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChIKeyKIQYSHHJXJOUMS-UHFFFAOYSA-N
XLogP1.25
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)ethyl]oxirane?
The IUPAC name of 2-[2-(benzenesulfonyl)ethyl]oxirane (CID 11356304) is 2-[2-(benzenesulfonyl)ethyl]oxirane.
What is the SMILES notation for 2-[2-(benzenesulfonyl)ethyl]oxirane?
The canonical SMILES for 2-[2-(benzenesulfonyl)ethyl]oxirane is O=S(=O)(CCC1CO1)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)ethyl]oxirane?
The InChIKey is KIQYSHHJXJOUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c11-14(12,7-6-9-8-13-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2.
What are the key properties of 2-[2-(benzenesulfonyl)ethyl]oxirane?
2-[2-(benzenesulfonyl)ethyl]oxirane has a molecular weight of 212.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)ethyl]oxirane is sourced from PubChem (CID 11356304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).