1-tert-butylsulfonylethylcyclohexane

C12H24O2S — CID 158143059

IUPAC1-tert-butylsulfonylethylcyclohexane
SMILESCC(C1CCCCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H24O2S/c1-10(11-8-6-5-7-9-11)15(13,14)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyRJILMUQPSLHSFX-UHFFFAOYSA-N
MW232.39 g/mol
LogP3.17
Rot. Bonds2

About 1-tert-butylsulfonylethylcyclohexane

1-tert-butylsulfonylethylcyclohexane (PubChem CID 158143059) has the molecular formula C12H24O2S and a molecular weight of 232.39 g/mol. Its IUPAC name is 1-tert-butylsulfonylethylcyclohexane.

Molecular Properties

Compound Name1-tert-butylsulfonylethylcyclohexane
PubChem CID158143059
Molecular FormulaC12H24O2S
Molecular Weight232.39 g/mol
Exact Mass232.15
IUPAC Name1-tert-butylsulfonylethylcyclohexane
SMILESCC(C1CCCCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H24O2S/c1-10(11-8-6-5-7-9-11)15(13,14)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyRJILMUQPSLHSFX-UHFFFAOYSA-N
XLogP3.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butylsulfonylethylcyclohexane 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 1-tert-butylsulfonylethylcyclohexane?
The IUPAC name of 1-tert-butylsulfonylethylcyclohexane (CID 158143059) is 1-tert-butylsulfonylethylcyclohexane.
What is the SMILES notation for 1-tert-butylsulfonylethylcyclohexane?
The canonical SMILES for 1-tert-butylsulfonylethylcyclohexane is CC(C1CCCCC1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-tert-butylsulfonylethylcyclohexane?
The InChIKey is RJILMUQPSLHSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S/c1-10(11-8-6-5-7-9-11)15(13,14)12(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-tert-butylsulfonylethylcyclohexane?
1-tert-butylsulfonylethylcyclohexane has a molecular weight of 232.39 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonylethylcyclohexane is sourced from PubChem (CID 158143059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).