ethylsulfinylcyclohexane

C8H16OS — CID 54571535

IUPACethylsulfinylcyclohexane
SMILESCCS(=O)C1CCCCC1
InChIInChI=1S/C8H16OS/c1-2-10(9)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyCMIGUTOGQHGQJE-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.09
Rot. Bonds2

About ethylsulfinylcyclohexane

ethylsulfinylcyclohexane (PubChem CID 54571535) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is ethylsulfinylcyclohexane.

Molecular Properties

Compound Nameethylsulfinylcyclohexane
PubChem CID54571535
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Nameethylsulfinylcyclohexane
SMILESCCS(=O)C1CCCCC1
InChIInChI=1S/C8H16OS/c1-2-10(9)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyCMIGUTOGQHGQJE-UHFFFAOYSA-N
XLogP2.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethylsulfinylcyclohexane 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 ethylsulfinylcyclohexane?
The IUPAC name of ethylsulfinylcyclohexane (CID 54571535) is ethylsulfinylcyclohexane.
What is the SMILES notation for ethylsulfinylcyclohexane?
The canonical SMILES for ethylsulfinylcyclohexane is CCS(=O)C1CCCCC1.
What is the InChIKey of ethylsulfinylcyclohexane?
The InChIKey is CMIGUTOGQHGQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-2-10(9)8-6-4-3-5-7-8/h8H,2-7H2,1H3.
What are the key properties of ethylsulfinylcyclohexane?
ethylsulfinylcyclohexane has a molecular weight of 160.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfinylcyclohexane is sourced from PubChem (CID 54571535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).