[(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol

C11H12O4S — CID 11184049

IUPAC[(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol
SMILESO=S(=O)(/C=C/[C@@H]1O[C@H]1CO)c1ccccc1
InChIInChI=1S/C11H12O4S/c12-8-11-10(15-11)6-7-16(13,14)9-4-2-1-3-5-9/h1-7,10-12H,8H2/b7-6+/t10-,11-/m0/s1
InChIKeyVJABWRDIURZDOS-JYLGIWJRSA-N
MW240.28 g/mol
LogP0.73
Rot. Bonds4

About [(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol

[(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol (PubChem CID 11184049) has the molecular formula C11H12O4S and a molecular weight of 240.28 g/mol. Its IUPAC name is [(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol
PubChem CID11184049
Molecular FormulaC11H12O4S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name[(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol
SMILESO=S(=O)(/C=C/[C@@H]1O[C@H]1CO)c1ccccc1
InChIInChI=1S/C11H12O4S/c12-8-11-10(15-11)6-7-16(13,14)9-4-2-1-3-5-9/h1-7,10-12H,8H2/b7-6+/t10-,11-/m0/s1
InChIKeyVJABWRDIURZDOS-JYLGIWJRSA-N
XLogP0.73
TPSA66.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methyl 2,2,2-trifluoroacetate
CID 11393534
2-[[(E)-2-(benzenesulfonyl)ethenoxy]methyl]oxirane
CID 15480608
CID 57693470
CID 57693470
(2R,3R,5S)-2-[2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol
CID 70795451
(2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol
CID 88976607
(1R)-1-[(2S,3S)-3-ethenyl-2-(4-methylphenyl)sulfonyloxiran-2-yl]prop-2-en-1-ol
CID 10826600
(2R)-4-(benzenesulfonyl)butane-1,2-diol
CID 11183823
(r)-2-((2-Phenylsulfonyl)-ethenyloxymethyl)-oxirane
CID 15480609
(2S,3S)-1-(benzenesulfonyl)pentane-2,3-diol
CID 15731033
(2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 91597627
[3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol
CID 134853764
1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol
CID 134986707

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol (CID 11184049) is [(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol is O=S(=O)(/C=C/[C@@H]1O[C@H]1CO)c1ccccc1.
What is the InChIKey of [(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol?
The InChIKey is VJABWRDIURZDOS-JYLGIWJRSA-N. The full InChI is InChI=1S/C11H12O4S/c12-8-11-10(15-11)6-7-16(13,14)9-4-2-1-3-5-9/h1-7,10-12H,8H2/b7-6+/t10-,11-/m0/s1.
What are the key properties of [(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol?
[(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol has a molecular weight of 240.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol is sourced from PubChem (CID 11184049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).