2-methoxy-2-methylpropane-1-sulfonyl chloride

C5H11ClO3S — CID 22636775

IUPAC2-methoxy-2-methylpropane-1-sulfonyl chloride
SMILESCOC(C)(C)CS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO3S/c1-5(2,9-3)4-10(6,7)8/h4H2,1-3H3
InChIKeyLNWBEJREKUGKIY-UHFFFAOYSA-N
MW186.66 g/mol
LogP0.98
Rot. Bonds3

About 2-methoxy-2-methylpropane-1-sulfonyl chloride

2-methoxy-2-methylpropane-1-sulfonyl chloride (PubChem CID 22636775) has the molecular formula C5H11ClO3S and a molecular weight of 186.66 g/mol. Its IUPAC name is 2-methoxy-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-2-methylpropane-1-sulfonyl chloride
PubChem CID22636775
Molecular FormulaC5H11ClO3S
Molecular Weight186.66 g/mol
Exact Mass186.01
IUPAC Name2-methoxy-2-methylpropane-1-sulfonyl chloride
SMILESCOC(C)(C)CS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO3S/c1-5(2,9-3)4-10(6,7)8/h4H2,1-3H3
InChIKeyLNWBEJREKUGKIY-UHFFFAOYSA-N
XLogP0.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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 2-methoxy-2-methylpropane-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 2-methoxy-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of 2-methoxy-2-methylpropane-1-sulfonyl chloride (CID 22636775) is 2-methoxy-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 2-methoxy-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 2-methoxy-2-methylpropane-1-sulfonyl chloride is COC(C)(C)CS(=O)(=O)Cl.
What is the InChIKey of 2-methoxy-2-methylpropane-1-sulfonyl chloride?
The InChIKey is LNWBEJREKUGKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO3S/c1-5(2,9-3)4-10(6,7)8/h4H2,1-3H3.
What are the key properties of 2-methoxy-2-methylpropane-1-sulfonyl chloride?
2-methoxy-2-methylpropane-1-sulfonyl chloride has a molecular weight of 186.66 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 22636775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).