2-Methylprop-2-ene-1-sulfonyl chloride

C4H7ClO2S — CID 12186909

IUPAC2-methylprop-2-ene-1-sulfonyl chloride
SMILESCC(=C)CS(=O)(=O)Cl
InChIInChI=1S/C4H7ClO2S/c1-4(2)3-8(5,6)7/h1,3H2,2H3
InChIKeyDWAZFVPADZFXAQ-UHFFFAOYSA-N
MW154.62 g/mol
LogP1.70
Rot. Bonds2

About 2-Methylprop-2-ene-1-sulfonyl chloride

2-Methylprop-2-ene-1-sulfonyl chloride (PubChem CID 12186909) has the molecular formula C4H7ClO2S and a molecular weight of 154.62 g/mol. Its IUPAC name is 2-methylprop-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name2-Methylprop-2-ene-1-sulfonyl chloride
PubChem CID12186909
Molecular FormulaC4H7ClO2S
Molecular Weight154.62 g/mol
Exact Mass153.99
IUPAC Name2-methylprop-2-ene-1-sulfonyl chloride
SMILESCC(=C)CS(=O)(=O)Cl
InChIInChI=1S/C4H7ClO2S/c1-4(2)3-8(5,6)7/h1,3H2,2H3
InChIKeyDWAZFVPADZFXAQ-UHFFFAOYSA-N
XLogP1.70
TPSA42.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity175

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.62
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-Methylprop-2-ene-1-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sodium methallylsulfonate
CID 23663624
2-Methylprop-2-ene-1-sulfonic acid
CID 73800
2-Propene-1-sulfonic acid, 2-methyl-, ion(1-)
CID 3262020
2-Methylprop-2-ene-1-sulfonyl fluoride
CID 12186910
Sodium isobutylene sulfonate
CID 101640369
Ammonium 2-methylprop-2-ene-1-sulfonate
CID 21188244
2-Methylprop-1-ene-1-sulfonyl fluoride
CID 88781101
Silyl methallylsulfinate
CID 129846411
Sodium 2-methylprop-2-ene-1-sulfinate
CID 138981384
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 2-Methylprop-2-ene-1-sulfonyl chloride?
The IUPAC name of 2-Methylprop-2-ene-1-sulfonyl chloride (CID 12186909) is 2-methylprop-2-ene-1-sulfonyl chloride.
What is the SMILES notation for 2-Methylprop-2-ene-1-sulfonyl chloride?
The canonical SMILES for 2-Methylprop-2-ene-1-sulfonyl chloride is CC(=C)CS(=O)(=O)Cl.
What is the InChIKey of 2-Methylprop-2-ene-1-sulfonyl chloride?
The InChIKey is DWAZFVPADZFXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO2S/c1-4(2)3-8(5,6)7/h1,3H2,2H3.
What are the key properties of 2-Methylprop-2-ene-1-sulfonyl chloride?
2-Methylprop-2-ene-1-sulfonyl chloride has a molecular weight of 154.62 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methylprop-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 12186909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).