2-methylsulfinylethylcyclohexane

C9H18OS — CID 14024918

IUPAC2-methylsulfinylethylcyclohexane
SMILESCS(=O)CCC1CCCCC1
InChIInChI=1S/C9H18OS/c1-11(10)8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyGTKYVGUIXPMSHY-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.34
Rot. Bonds3

About 2-methylsulfinylethylcyclohexane

2-methylsulfinylethylcyclohexane (PubChem CID 14024918) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-methylsulfinylethylcyclohexane.

Molecular Properties

Compound Name2-methylsulfinylethylcyclohexane
PubChem CID14024918
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name2-methylsulfinylethylcyclohexane
SMILESCS(=O)CCC1CCCCC1
InChIInChI=1S/C9H18OS/c1-11(10)8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyGTKYVGUIXPMSHY-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinylethylcyclohexane?
The IUPAC name of 2-methylsulfinylethylcyclohexane (CID 14024918) is 2-methylsulfinylethylcyclohexane.
What is the SMILES notation for 2-methylsulfinylethylcyclohexane?
The canonical SMILES for 2-methylsulfinylethylcyclohexane is CS(=O)CCC1CCCCC1.
What is the InChIKey of 2-methylsulfinylethylcyclohexane?
The InChIKey is GTKYVGUIXPMSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-11(10)8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of 2-methylsulfinylethylcyclohexane?
2-methylsulfinylethylcyclohexane has a molecular weight of 174.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinylethylcyclohexane is sourced from PubChem (CID 14024918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).