2-(4-methylcyclohexyl)propane-2-sulfonyl chloride

C10H19ClO2S — CID 165474295

IUPAC2-(4-methylcyclohexyl)propane-2-sulfonyl chloride
SMILESCC1CCC(C(C)(C)S(=O)(=O)Cl)CC1
InChIInChI=1S/C10H19ClO2S/c1-8-4-6-9(7-5-8)10(2,3)14(11,12)13/h8-9H,4-7H2,1-3H3
InChIKeyFTISPLSDKTYCEO-UHFFFAOYSA-N
MW238.78 g/mol
LogP3.16
Rot. Bonds2

About 2-(4-methylcyclohexyl)propane-2-sulfonyl chloride

2-(4-methylcyclohexyl)propane-2-sulfonyl chloride (PubChem CID 165474295) has the molecular formula C10H19ClO2S and a molecular weight of 238.78 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)propane-2-sulfonyl chloride.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)propane-2-sulfonyl chloride
PubChem CID165474295
Molecular FormulaC10H19ClO2S
Molecular Weight238.78 g/mol
Exact Mass238.08
IUPAC Name2-(4-methylcyclohexyl)propane-2-sulfonyl chloride
SMILESCC1CCC(C(C)(C)S(=O)(=O)Cl)CC1
InChIInChI=1S/C10H19ClO2S/c1-8-4-6-9(7-5-8)10(2,3)14(11,12)13/h8-9H,4-7H2,1-3H3
InChIKeyFTISPLSDKTYCEO-UHFFFAOYSA-N
XLogP3.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylcyclohexyl)propane-2-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-(4-methylcyclohexyl)propane-2-sulfonyl chloride?
The IUPAC name of 2-(4-methylcyclohexyl)propane-2-sulfonyl chloride (CID 165474295) is 2-(4-methylcyclohexyl)propane-2-sulfonyl chloride.
What is the SMILES notation for 2-(4-methylcyclohexyl)propane-2-sulfonyl chloride?
The canonical SMILES for 2-(4-methylcyclohexyl)propane-2-sulfonyl chloride is CC1CCC(C(C)(C)S(=O)(=O)Cl)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)propane-2-sulfonyl chloride?
The InChIKey is FTISPLSDKTYCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO2S/c1-8-4-6-9(7-5-8)10(2,3)14(11,12)13/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-(4-methylcyclohexyl)propane-2-sulfonyl chloride?
2-(4-methylcyclohexyl)propane-2-sulfonyl chloride has a molecular weight of 238.78 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)propane-2-sulfonyl chloride is sourced from PubChem (CID 165474295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).