2-cyclobutyl-2-methoxyethanesulfonyl chloride

C7H13ClO3S — CID 105466435

IUPAC2-cyclobutyl-2-methoxyethanesulfonyl chloride
SMILESCOC(CS(=O)(=O)Cl)C1CCC1
InChIInChI=1S/C7H13ClO3S/c1-11-7(5-12(8,9)10)6-3-2-4-6/h6-7H,2-5H2,1H3
InChIKeyUVPJXGJDCPLPNN-UHFFFAOYSA-N
MW212.70 g/mol
LogP1.37
Rot. Bonds4

About 2-cyclobutyl-2-methoxyethanesulfonyl chloride

2-cyclobutyl-2-methoxyethanesulfonyl chloride (PubChem CID 105466435) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is 2-cyclobutyl-2-methoxyethanesulfonyl chloride.

Molecular Properties

Compound Name2-cyclobutyl-2-methoxyethanesulfonyl chloride
PubChem CID105466435
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Name2-cyclobutyl-2-methoxyethanesulfonyl chloride
SMILESCOC(CS(=O)(=O)Cl)C1CCC1
InChIInChI=1S/C7H13ClO3S/c1-11-7(5-12(8,9)10)6-3-2-4-6/h6-7H,2-5H2,1H3
InChIKeyUVPJXGJDCPLPNN-UHFFFAOYSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclobutyl-2-methoxyethanesulfonyl 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-methoxyethanesulfonyl chloride?
The IUPAC name of 2-cyclobutyl-2-methoxyethanesulfonyl chloride (CID 105466435) is 2-cyclobutyl-2-methoxyethanesulfonyl chloride.
What is the SMILES notation for 2-cyclobutyl-2-methoxyethanesulfonyl chloride?
The canonical SMILES for 2-cyclobutyl-2-methoxyethanesulfonyl chloride is COC(CS(=O)(=O)Cl)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-methoxyethanesulfonyl chloride?
The InChIKey is UVPJXGJDCPLPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO3S/c1-11-7(5-12(8,9)10)6-3-2-4-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-cyclobutyl-2-methoxyethanesulfonyl chloride?
2-cyclobutyl-2-methoxyethanesulfonyl chloride has a molecular weight of 212.70 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-methoxyethanesulfonyl chloride is sourced from PubChem (CID 105466435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).