2-methoxy-3-methylbutane-1-sulfonyl chloride

C6H13ClO3S — CID 105453266

IUPAC2-methoxy-3-methylbutane-1-sulfonyl chloride
SMILESCOC(CS(=O)(=O)Cl)C(C)C
InChIInChI=1S/C6H13ClO3S/c1-5(2)6(10-3)4-11(7,8)9/h5-6H,4H2,1-3H3
InChIKeyULFIPEGMJVMGLG-UHFFFAOYSA-N
MW200.69 g/mol
LogP1.23
Rot. Bonds4

About 2-methoxy-3-methylbutane-1-sulfonyl chloride

2-methoxy-3-methylbutane-1-sulfonyl chloride (PubChem CID 105453266) has the molecular formula C6H13ClO3S and a molecular weight of 200.69 g/mol. Its IUPAC name is 2-methoxy-3-methylbutane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-3-methylbutane-1-sulfonyl chloride
PubChem CID105453266
Molecular FormulaC6H13ClO3S
Molecular Weight200.69 g/mol
Exact Mass200.03
IUPAC Name2-methoxy-3-methylbutane-1-sulfonyl chloride
SMILESCOC(CS(=O)(=O)Cl)C(C)C
InChIInChI=1S/C6H13ClO3S/c1-5(2)6(10-3)4-11(7,8)9/h5-6H,4H2,1-3H3
InChIKeyULFIPEGMJVMGLG-UHFFFAOYSA-N
XLogP1.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-3-methylbutane-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

Related Compounds

3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride
CID 165499020
(2S)-3-chloro-2-methylpropane-1-sulfonyl chloride
CID 10375280
1-chloro-2-methoxy-3-methylbutane
CID 55301304
2,3,3-trimethylbutane-1-sulfonyl chloride
CID 83637644
3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride
CID 105484134
2-methoxypentane-1-sulfonyl chloride
CID 105453267
2-cyclopropyl-2-methoxyethanesulfonyl chloride
CID 105451878
2-methoxy-3-phenylpropane-1-sulfonyl chloride
CID 115046417
(2S)-2-methoxy-3-methylbutan-1-amine
CID 26188668
methyl 3-chlorosulfonyl-2-hydroxypropanoate
CID 130593524
3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride
CID 165492223
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride
CID 104567582

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methylbutane-1-sulfonyl chloride?
The IUPAC name of 2-methoxy-3-methylbutane-1-sulfonyl chloride (CID 105453266) is 2-methoxy-3-methylbutane-1-sulfonyl chloride.
What is the SMILES notation for 2-methoxy-3-methylbutane-1-sulfonyl chloride?
The canonical SMILES for 2-methoxy-3-methylbutane-1-sulfonyl chloride is COC(CS(=O)(=O)Cl)C(C)C.
What is the InChIKey of 2-methoxy-3-methylbutane-1-sulfonyl chloride?
The InChIKey is ULFIPEGMJVMGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO3S/c1-5(2)6(10-3)4-11(7,8)9/h5-6H,4H2,1-3H3.
What are the key properties of 2-methoxy-3-methylbutane-1-sulfonyl chloride?
2-methoxy-3-methylbutane-1-sulfonyl chloride has a molecular weight of 200.69 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylbutane-1-sulfonyl chloride is sourced from PubChem (CID 105453266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).