(2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane

C12H16O3S — CID 11680304

IUPAC(2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane
SMILESCC(c1ccccc1)S(=O)(=O)[C@@]1(C)O[C@@H]1C
InChIInChI=1S/C12H16O3S/c1-9(11-7-5-4-6-8-11)16(13,14)12(3)10(2)15-12/h4-10H,1-3H3/t9?,10-,12-/m1/s1
InChIKeyIQQQFOMJIPSDGP-GTFYECCDSA-N
MW240.32 g/mol
LogP2.30
Rot. Bonds3

About (2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane

(2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane (PubChem CID 11680304) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is (2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane.

Molecular Properties

Compound Name(2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane
PubChem CID11680304
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name(2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane
SMILESCC(c1ccccc1)S(=O)(=O)[C@@]1(C)O[C@@H]1C
InChIInChI=1S/C12H16O3S/c1-9(11-7-5-4-6-8-11)16(13,14)12(3)10(2)15-12/h4-10H,1-3H3/t9?,10-,12-/m1/s1
InChIKeyIQQQFOMJIPSDGP-GTFYECCDSA-N
XLogP2.30
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)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 (2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane?
The IUPAC name of (2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane (CID 11680304) is (2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane.
What is the SMILES notation for (2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane?
The canonical SMILES for (2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane is CC(c1ccccc1)S(=O)(=O)[C@@]1(C)O[C@@H]1C.
What is the InChIKey of (2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane?
The InChIKey is IQQQFOMJIPSDGP-GTFYECCDSA-N. The full InChI is InChI=1S/C12H16O3S/c1-9(11-7-5-4-6-8-11)16(13,14)12(3)10(2)15-12/h4-10H,1-3H3/t9?,10-,12-/m1/s1.
What are the key properties of (2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane?
(2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane has a molecular weight of 240.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dimethyl-2-(1-phenylethylsulfonyl)oxirane is sourced from PubChem (CID 11680304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).