2-cyclobutylideneethanesulfonyl chloride

C6H9ClO2S — CID 115015795

IUPAC2-cyclobutylideneethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC=C1CCC1
InChIInChI=1S/C6H9ClO2S/c7-10(8,9)5-4-6-2-1-3-6/h4H,1-3,5H2
InChIKeyKZQKAPHCYPOEHN-UHFFFAOYSA-N
MW180.66 g/mol
LogP1.67
Rot. Bonds2

About 2-cyclobutylideneethanesulfonyl chloride

2-cyclobutylideneethanesulfonyl chloride (PubChem CID 115015795) has the molecular formula C6H9ClO2S and a molecular weight of 180.66 g/mol. Its IUPAC name is 2-cyclobutylideneethanesulfonyl chloride.

Molecular Properties

Compound Name2-cyclobutylideneethanesulfonyl chloride
PubChem CID115015795
Molecular FormulaC6H9ClO2S
Molecular Weight180.66 g/mol
Exact Mass180.00
IUPAC Name2-cyclobutylideneethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC=C1CCC1
InChIInChI=1S/C6H9ClO2S/c7-10(8,9)5-4-6-2-1-3-6/h4H,1-3,5H2
InChIKeyKZQKAPHCYPOEHN-UHFFFAOYSA-N
XLogP1.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.66
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclobutylideneethanesulfonyl 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

(1E)-2,5-dimethylhexa-1,4-diene-1-sulfonyl chloride
CID 123740144
3-Cyclobutylprop-2-ene-1-sulfonyl chloride
CID 174764289
2-Cyclohexa-1,4-dien-1-ylethanesulfonyl chloride
CID 55280288
(Cyclopent-1-en-1-yl)methanesulfonyl chloride
CID 84657679
2-(Cyclopenten-1-yl)ethanesulfonyl chloride
CID 84665836
Cyclohexen-1-ylmethanesulfonyl chloride
CID 84665837
2-Cyclopentylideneethanesulfonyl chloride
CID 84665838
2-Cyclobutylideneethanesulfonic acid
CID 115012765
(E)-3-cyclobutylprop-2-ene-1-sulfonyl chloride
CID 115020109
4-Methylpent-3-ene-1-sulfonyl chloride
CID 165870513

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylideneethanesulfonyl chloride?
The IUPAC name of 2-cyclobutylideneethanesulfonyl chloride (CID 115015795) is 2-cyclobutylideneethanesulfonyl chloride.
What is the SMILES notation for 2-cyclobutylideneethanesulfonyl chloride?
The canonical SMILES for 2-cyclobutylideneethanesulfonyl chloride is O=S(=O)(Cl)CC=C1CCC1.
What is the InChIKey of 2-cyclobutylideneethanesulfonyl chloride?
The InChIKey is KZQKAPHCYPOEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2S/c7-10(8,9)5-4-6-2-1-3-6/h4H,1-3,5H2.
What are the key properties of 2-cyclobutylideneethanesulfonyl chloride?
2-cyclobutylideneethanesulfonyl chloride has a molecular weight of 180.66 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylideneethanesulfonyl chloride is sourced from PubChem (CID 115015795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).