3-methylcyclobutane-1-sulfonyl chloride

C5H9ClO2S — CID 103564836

IUPAC3-methylcyclobutane-1-sulfonyl chloride
SMILESCC1CC(S(=O)(=O)Cl)C1
InChIInChI=1S/C5H9ClO2S/c1-4-2-5(3-4)9(6,7)8/h4-5H,2-3H2,1H3
InChIKeyBNGUSXMRIZCYFN-UHFFFAOYSA-N
MW168.64 g/mol
LogP1.35
Rot. Bonds1

About 3-methylcyclobutane-1-sulfonyl chloride

3-methylcyclobutane-1-sulfonyl chloride (PubChem CID 103564836) has the molecular formula C5H9ClO2S and a molecular weight of 168.64 g/mol. Its IUPAC name is 3-methylcyclobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-methylcyclobutane-1-sulfonyl chloride
PubChem CID103564836
Molecular FormulaC5H9ClO2S
Molecular Weight168.64 g/mol
Exact Mass168.00
IUPAC Name3-methylcyclobutane-1-sulfonyl chloride
SMILESCC1CC(S(=O)(=O)Cl)C1
InChIInChI=1S/C5H9ClO2S/c1-4-2-5(3-4)9(6,7)8/h4-5H,2-3H2,1H3
InChIKeyBNGUSXMRIZCYFN-UHFFFAOYSA-N
XLogP1.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.64
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methylcyclobutane-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

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclobutane-1-sulfonyl chloride?
The IUPAC name of 3-methylcyclobutane-1-sulfonyl chloride (CID 103564836) is 3-methylcyclobutane-1-sulfonyl chloride.
What is the SMILES notation for 3-methylcyclobutane-1-sulfonyl chloride?
The canonical SMILES for 3-methylcyclobutane-1-sulfonyl chloride is CC1CC(S(=O)(=O)Cl)C1.
What is the InChIKey of 3-methylcyclobutane-1-sulfonyl chloride?
The InChIKey is BNGUSXMRIZCYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO2S/c1-4-2-5(3-4)9(6,7)8/h4-5H,2-3H2,1H3.
What are the key properties of 3-methylcyclobutane-1-sulfonyl chloride?
3-methylcyclobutane-1-sulfonyl chloride has a molecular weight of 168.64 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclobutane-1-sulfonyl chloride is sourced from PubChem (CID 103564836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).