3-methoxybutane-1-sulfonyl chloride

C5H11ClO3S — CID 115650250

IUPAC3-methoxybutane-1-sulfonyl chloride
SMILESCOC(C)CCS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO3S/c1-5(9-2)3-4-10(6,7)8/h5H,3-4H2,1-2H3
InChIKeyGJIWHEBLIRPXMS-UHFFFAOYSA-N
MW186.66 g/mol
LogP0.98
Rot. Bonds4

About 3-methoxybutane-1-sulfonyl chloride

3-methoxybutane-1-sulfonyl chloride (PubChem CID 115650250) has the molecular formula C5H11ClO3S and a molecular weight of 186.66 g/mol. Its IUPAC name is 3-methoxybutane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-methoxybutane-1-sulfonyl chloride
PubChem CID115650250
Molecular FormulaC5H11ClO3S
Molecular Weight186.66 g/mol
Exact Mass186.01
IUPAC Name3-methoxybutane-1-sulfonyl chloride
SMILESCOC(C)CCS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO3S/c1-5(9-2)3-4-10(6,7)8/h5H,3-4H2,1-2H3
InChIKeyGJIWHEBLIRPXMS-UHFFFAOYSA-N
XLogP0.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxybutane-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-methoxybutane-1-sulfonyl chloride?
The IUPAC name of 3-methoxybutane-1-sulfonyl chloride (CID 115650250) is 3-methoxybutane-1-sulfonyl chloride.
What is the SMILES notation for 3-methoxybutane-1-sulfonyl chloride?
The canonical SMILES for 3-methoxybutane-1-sulfonyl chloride is COC(C)CCS(=O)(=O)Cl.
What is the InChIKey of 3-methoxybutane-1-sulfonyl chloride?
The InChIKey is GJIWHEBLIRPXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO3S/c1-5(9-2)3-4-10(6,7)8/h5H,3-4H2,1-2H3.
What are the key properties of 3-methoxybutane-1-sulfonyl chloride?
3-methoxybutane-1-sulfonyl chloride has a molecular weight of 186.66 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybutane-1-sulfonyl chloride is sourced from PubChem (CID 115650250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).