(2R,3R)-2-(benzenesulfonyl)-3-propyloxirane

C11H14O3S — CID 14532898

IUPAC(2R,3R)-2-(benzenesulfonyl)-3-propyloxirane
SMILESCCC[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14O3S/c1-2-6-10-11(14-10)15(12,13)9-7-4-3-5-8-9/h3-5,7-8,10-11H,2,6H2,1H3/t10-,11-/m1/s1
InChIKeyHHWLYELAAKRISJ-GHMZBOCLSA-N
MW226.30 g/mol
LogP1.99
Rot. Bonds4

About (2R,3R)-2-(benzenesulfonyl)-3-propyloxirane

(2R,3R)-2-(benzenesulfonyl)-3-propyloxirane (PubChem CID 14532898) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is (2R,3R)-2-(benzenesulfonyl)-3-propyloxirane.

Molecular Properties

Compound Name(2R,3R)-2-(benzenesulfonyl)-3-propyloxirane
PubChem CID14532898
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name(2R,3R)-2-(benzenesulfonyl)-3-propyloxirane
SMILESCCC[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14O3S/c1-2-6-10-11(14-10)15(12,13)9-7-4-3-5-8-9/h3-5,7-8,10-11H,2,6H2,1H3/t10-,11-/m1/s1
InChIKeyHHWLYELAAKRISJ-GHMZBOCLSA-N
XLogP1.99
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.99
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-(4-phenoxyphenyl)sulfonyl-3-propyloxirane
CID 11515236
(2S,3R)-2-(4-methylphenyl)sulfonyl-3-pentyloxirane
CID 15316045
[(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10065485
[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11762183
(2S,3S)-2-(benzenesulfonyl)-3-tert-butyloxirane
CID 101169297
(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane
CID 122545236
(2R,3R)-2-(benzenesulfonyl)-3-(4-methylphenyl)oxirane
CID 135001050
CID 136846141
CID 136846141
N-[[(2R,3S)-3-heptyloxiran-2-yl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 10455650
4-methyl-N-[[(2R,3R)-3-octyloxiran-2-yl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide
CID 10789691
(2S,3S)-2-(benzenesulfonyl)-3-(trifluoromethyl)oxirane
CID 97110826
(2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane
CID 101169290

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(benzenesulfonyl)-3-propyloxirane?
The IUPAC name of (2R,3R)-2-(benzenesulfonyl)-3-propyloxirane (CID 14532898) is (2R,3R)-2-(benzenesulfonyl)-3-propyloxirane.
What is the SMILES notation for (2R,3R)-2-(benzenesulfonyl)-3-propyloxirane?
The canonical SMILES for (2R,3R)-2-(benzenesulfonyl)-3-propyloxirane is CCC[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R,3R)-2-(benzenesulfonyl)-3-propyloxirane?
The InChIKey is HHWLYELAAKRISJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14O3S/c1-2-6-10-11(14-10)15(12,13)9-7-4-3-5-8-9/h3-5,7-8,10-11H,2,6H2,1H3/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-2-(benzenesulfonyl)-3-propyloxirane?
(2R,3R)-2-(benzenesulfonyl)-3-propyloxirane has a molecular weight of 226.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(benzenesulfonyl)-3-propyloxirane is sourced from PubChem (CID 14532898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).