(2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane

C10H12O3S — CID 101169296

IUPAC(2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane
SMILESCC[C@@H]1O[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12O3S/c1-2-9-10(13-9)14(11,12)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-,10-/m0/s1
InChIKeyRBXBLIZJJFKKTM-UWVGGRQHSA-N
MW212.27 g/mol
LogP1.60
Rot. Bonds3

About (2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane

(2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane (PubChem CID 101169296) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is (2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane.

Molecular Properties

Compound Name(2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane
PubChem CID101169296
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name(2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane
SMILESCC[C@@H]1O[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12O3S/c1-2-9-10(13-9)14(11,12)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-,10-/m0/s1
InChIKeyRBXBLIZJJFKKTM-UWVGGRQHSA-N
XLogP1.60
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.60
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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Related Compounds

(2-Propen-1-ylsulfonyl)benzene
CID 85330
Ethyl (phenylsulphonyl)acetate
CID 82078
(Ethylsulphonyl)benzene
CID 69032
Butyl phenyl sulfone
CID 238507
Methyl phenylsulfonyl acetate
CID 555619
1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate
CID 2831158
((1-Methylethyl)sulfonyl)benzene
CID 199476
Methoxymethyl Phenyl Sulfone
CID 366072
Cyclopropanesulphonylbenzene
CID 11309899
Sulfone, 2-acetoxypropyl phenyl
CID 538760
2-(Phenylsulfonyl)ethanol
CID 30202
2-((Phenylsulfanyl)methyl)oxirane
CID 11094998

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane?
The IUPAC name of (2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane (CID 101169296) is (2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane.
What is the SMILES notation for (2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane?
The canonical SMILES for (2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane is CC[C@@H]1O[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane?
The InChIKey is RBXBLIZJJFKKTM-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H12O3S/c1-2-9-10(13-9)14(11,12)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane?
(2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane has a molecular weight of 212.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(benzenesulfonyl)-3-ethyloxirane is sourced from PubChem (CID 101169296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).