(E)-1-ethylsulfonylprop-1-ene

C5H10O2S — CID 638435

IUPAC(E)-1-ethylsulfonylprop-1-ene
SMILESC/C=C/S(=O)(=O)CC
InChIInChI=1S/C5H10O2S/c1-3-5-8(6,7)4-2/h3,5H,4H2,1-2H3/b5-3+
InChIKeyKOLZIYBXPOQYAU-HWKANZROSA-N
MW134.20 g/mol
LogP0.95
Rot. Bonds2

About (E)-1-ethylsulfonylprop-1-ene

(E)-1-ethylsulfonylprop-1-ene (PubChem CID 638435) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is (E)-1-ethylsulfonylprop-1-ene.

Molecular Properties

Compound Name(E)-1-ethylsulfonylprop-1-ene
PubChem CID638435
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name(E)-1-ethylsulfonylprop-1-ene
SMILESC/C=C/S(=O)(=O)CC
InChIInChI=1S/C5H10O2S/c1-3-5-8(6,7)4-2/h3,5H,4H2,1-2H3/b5-3+
InChIKeyKOLZIYBXPOQYAU-HWKANZROSA-N
XLogP0.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-ethylsulfonylprop-1-ene?
The IUPAC name of (E)-1-ethylsulfonylprop-1-ene (CID 638435) is (E)-1-ethylsulfonylprop-1-ene.
What is the SMILES notation for (E)-1-ethylsulfonylprop-1-ene?
The canonical SMILES for (E)-1-ethylsulfonylprop-1-ene is C/C=C/S(=O)(=O)CC.
What is the InChIKey of (E)-1-ethylsulfonylprop-1-ene?
The InChIKey is KOLZIYBXPOQYAU-HWKANZROSA-N. The full InChI is InChI=1S/C5H10O2S/c1-3-5-8(6,7)4-2/h3,5H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-1-ethylsulfonylprop-1-ene?
(E)-1-ethylsulfonylprop-1-ene has a molecular weight of 134.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethylsulfonylprop-1-ene is sourced from PubChem (CID 638435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).