2-cyclobutyl-2-oxoethanesulfonyl chloride

C6H9ClO3S — CID 115020890

IUPAC2-cyclobutyl-2-oxoethanesulfonyl chloride
SMILESO=C(CS(=O)(=O)Cl)C1CCC1
InChIInChI=1S/C6H9ClO3S/c7-11(9,10)4-6(8)5-2-1-3-5/h5H,1-4H2
InChIKeyTZUGRCPVCSQGIC-UHFFFAOYSA-N
MW196.65 g/mol
LogP0.92
Rot. Bonds3

About 2-cyclobutyl-2-oxoethanesulfonyl chloride

2-cyclobutyl-2-oxoethanesulfonyl chloride (PubChem CID 115020890) has the molecular formula C6H9ClO3S and a molecular weight of 196.65 g/mol. Its IUPAC name is 2-cyclobutyl-2-oxoethanesulfonyl chloride.

Molecular Properties

Compound Name2-cyclobutyl-2-oxoethanesulfonyl chloride
PubChem CID115020890
Molecular FormulaC6H9ClO3S
Molecular Weight196.65 g/mol
Exact Mass196.00
IUPAC Name2-cyclobutyl-2-oxoethanesulfonyl chloride
SMILESO=C(CS(=O)(=O)Cl)C1CCC1
InChIInChI=1S/C6H9ClO3S/c7-11(9,10)4-6(8)5-2-1-3-5/h5H,1-4H2
InChIKeyTZUGRCPVCSQGIC-UHFFFAOYSA-N
XLogP0.92
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.65
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclobutyl-2-oxoethanesulfonyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-oxoethanesulfonyl chloride?
The IUPAC name of 2-cyclobutyl-2-oxoethanesulfonyl chloride (CID 115020890) is 2-cyclobutyl-2-oxoethanesulfonyl chloride.
What is the SMILES notation for 2-cyclobutyl-2-oxoethanesulfonyl chloride?
The canonical SMILES for 2-cyclobutyl-2-oxoethanesulfonyl chloride is O=C(CS(=O)(=O)Cl)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-oxoethanesulfonyl chloride?
The InChIKey is TZUGRCPVCSQGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO3S/c7-11(9,10)4-6(8)5-2-1-3-5/h5H,1-4H2.
What are the key properties of 2-cyclobutyl-2-oxoethanesulfonyl chloride?
2-cyclobutyl-2-oxoethanesulfonyl chloride has a molecular weight of 196.65 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-oxoethanesulfonyl chloride is sourced from PubChem (CID 115020890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).