2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane

C11H12O3S — CID 14043492

IUPAC2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane
SMILESC=C(C1OC1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12O3S/c1-8-11(14-8)9(2)15(12,13)10-6-4-3-5-7-10/h3-8,11H,2H2,1H3
InChIKeyALMFROOZUAOPNR-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.76
Rot. Bonds3

About 2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane

2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane (PubChem CID 14043492) has the molecular formula C11H12O3S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane
PubChem CID14043492
Molecular FormulaC11H12O3S
Molecular Weight224.28 g/mol
Exact Mass224.05
IUPAC Name2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane
SMILESC=C(C1OC1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12O3S/c1-8-11(14-8)9(2)15(12,13)10-6-4-3-5-7-10/h3-8,11H,2H2,1H3
InChIKeyALMFROOZUAOPNR-UHFFFAOYSA-N
XLogP1.76
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.76
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

3-[1-(benzenesulfonyl)ethenyl]-2,2-dimethyloxirane
CID 14043494
(3S,3aS,7aR)-3-[1-(benzenesulfonyl)ethenyl]-1-methyl-3a,4,5,6,7,7a-hexahydro-3H-2,1-benzoxazole
CID 15305261
2-[4-(benzenesulfonyl)phenyl]-3-methyloxirane
CID 22677241
3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene
CID 10922506
buta-2,3-dien-2-ylsulfonylbenzene
CID 11830311
1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene
CID 132577543
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
but-2-en-2-ylsulfonylbenzene
CID 85377514
2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol
CID 139779830
1-(benzenesulfonyl)-N-ethenylethenamine
CID 67900326
(3Z)-3-(benzenesulfonyl)-4-chloro-5-methylhexa-3,5-dien-2-one
CID 102428967
2-(benzenesulfonyl)prop-2-enyl acetate
CID 91999686

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane?
The IUPAC name of 2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane (CID 14043492) is 2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane.
What is the SMILES notation for 2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane?
The canonical SMILES for 2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane is C=C(C1OC1C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane?
The InChIKey is ALMFROOZUAOPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3S/c1-8-11(14-8)9(2)15(12,13)10-6-4-3-5-7-10/h3-8,11H,2H2,1H3.
What are the key properties of 2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane?
2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane has a molecular weight of 224.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)ethenyl]-3-methyloxirane is sourced from PubChem (CID 14043492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).