2-methyl-1-methylsulfonylprop-1-ene

C5H10O2S — CID 13264619

IUPAC2-methyl-1-methylsulfonylprop-1-ene
SMILESCC(C)=CS(C)(=O)=O
InChIInChI=1S/C5H10O2S/c1-5(2)4-8(3,6)7/h4H,1-3H3
InChIKeyCAOHIMPEZJVGGH-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.95
Rot. Bonds1

About 2-methyl-1-methylsulfonylprop-1-ene

2-methyl-1-methylsulfonylprop-1-ene (PubChem CID 13264619) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonylprop-1-ene.

Molecular Properties

Compound Name2-methyl-1-methylsulfonylprop-1-ene
PubChem CID13264619
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name2-methyl-1-methylsulfonylprop-1-ene
SMILESCC(C)=CS(C)(=O)=O
InChIInChI=1S/C5H10O2S/c1-5(2)4-8(3,6)7/h4H,1-3H3
InChIKeyCAOHIMPEZJVGGH-UHFFFAOYSA-N
XLogP0.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 2-methyl-1-methylsulfonylprop-1-ene?
The IUPAC name of 2-methyl-1-methylsulfonylprop-1-ene (CID 13264619) is 2-methyl-1-methylsulfonylprop-1-ene.
What is the SMILES notation for 2-methyl-1-methylsulfonylprop-1-ene?
The canonical SMILES for 2-methyl-1-methylsulfonylprop-1-ene is CC(C)=CS(C)(=O)=O.
What is the InChIKey of 2-methyl-1-methylsulfonylprop-1-ene?
The InChIKey is CAOHIMPEZJVGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-5(2)4-8(3,6)7/h4H,1-3H3.
What are the key properties of 2-methyl-1-methylsulfonylprop-1-ene?
2-methyl-1-methylsulfonylprop-1-ene has a molecular weight of 134.20 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonylprop-1-ene is sourced from PubChem (CID 13264619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).