Methyl 2-methylprop-2-ene-1-sulfonate

C5H10O3S — CID 21539882

IUPACmethyl 2-methylprop-2-ene-1-sulfonate
SMILESCC(=C)CS(=O)(=O)OC
InChIInChI=1S/C5H10O3S/c1-5(2)4-9(6,7)8-3/h1,4H2,2-3H3
InChIKeyULLIKMUAJWOHBF-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.90
Rot. Bonds3

About Methyl 2-methylprop-2-ene-1-sulfonate

Methyl 2-methylprop-2-ene-1-sulfonate (PubChem CID 21539882) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is methyl 2-methylprop-2-ene-1-sulfonate.

Molecular Properties

Compound NameMethyl 2-methylprop-2-ene-1-sulfonate
PubChem CID21539882
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Namemethyl 2-methylprop-2-ene-1-sulfonate
SMILESCC(=C)CS(=O)(=O)OC
InChIInChI=1S/C5H10O3S/c1-5(2)4-9(6,7)8-3/h1,4H2,2-3H3
InChIKeyULLIKMUAJWOHBF-UHFFFAOYSA-N
XLogP0.90
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity185

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

Sodium methallylsulfonate
CID 23663624
2-Methylprop-2-ene-1-sulfonyl chloride
CID 12186909
2-Methylprop-2-ene-1-sulfonic acid
CID 73800
2-Propene-1-sulfonic acid, 2-methyl-, ion(1-)
CID 3262020
Methyl allylsulfonate
CID 21516113
Ammonium 2-methylprop-2-ene-1-sulfonate
CID 21188244
Methyl 3-methylbut-2-ene-1-sulfinate
CID 10942605
Ethyl 2-methylprop-2-ene-1-sulfinate
CID 11286560
2-Methylprop-2-enyl prop-2-ene-1-sulfonate
CID 11148038
2-Methylprop-2-ene-1-sulfinate
CID 5035958
1-Ethylsulfonyl-2-methylprop-1-ene
CID 12431665
1-(Methanesulfonyl)-2-methylprop-1-ene
CID 13264619

Frequently Asked Questions

What is the IUPAC name of Methyl 2-methylprop-2-ene-1-sulfonate?
The IUPAC name of Methyl 2-methylprop-2-ene-1-sulfonate (CID 21539882) is methyl 2-methylprop-2-ene-1-sulfonate.
What is the SMILES notation for Methyl 2-methylprop-2-ene-1-sulfonate?
The canonical SMILES for Methyl 2-methylprop-2-ene-1-sulfonate is CC(=C)CS(=O)(=O)OC.
What is the InChIKey of Methyl 2-methylprop-2-ene-1-sulfonate?
The InChIKey is ULLIKMUAJWOHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-5(2)4-9(6,7)8-3/h1,4H2,2-3H3.
What are the key properties of Methyl 2-methylprop-2-ene-1-sulfonate?
Methyl 2-methylprop-2-ene-1-sulfonate has a molecular weight of 150.20 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 2-methylprop-2-ene-1-sulfonate is sourced from PubChem (CID 21539882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).