3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride

C11H23ClO3S — CID 165492223

IUPAC3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride
SMILESCCC(CC)OCC(CS(=O)(=O)Cl)C(C)C
InChIInChI=1S/C11H23ClO3S/c1-5-11(6-2)15-7-10(9(3)4)8-16(12,13)14/h9-11H,5-8H2,1-4H3
InChIKeyDDUQKMVLVQYDKL-UHFFFAOYSA-N
MW270.82 g/mol
LogP3.03
Rot. Bonds8

About 3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride

3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride (PubChem CID 165492223) has the molecular formula C11H23ClO3S and a molecular weight of 270.82 g/mol. Its IUPAC name is 3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride
PubChem CID165492223
Molecular FormulaC11H23ClO3S
Molecular Weight270.82 g/mol
Exact Mass270.11
IUPAC Name3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride
SMILESCCC(CC)OCC(CS(=O)(=O)Cl)C(C)C
InChIInChI=1S/C11H23ClO3S/c1-5-11(6-2)15-7-10(9(3)4)8-16(12,13)14/h9-11H,5-8H2,1-4H3
InChIKeyDDUQKMVLVQYDKL-UHFFFAOYSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.82
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(pentan-3-yloxymethyl)butane-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-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride?
The IUPAC name of 3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride (CID 165492223) is 3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride.
What is the SMILES notation for 3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride?
The canonical SMILES for 3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride is CCC(CC)OCC(CS(=O)(=O)Cl)C(C)C.
What is the InChIKey of 3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride?
The InChIKey is DDUQKMVLVQYDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO3S/c1-5-11(6-2)15-7-10(9(3)4)8-16(12,13)14/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride?
3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride has a molecular weight of 270.82 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride is sourced from PubChem (CID 165492223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).