methylsulfinylcyclohexane

C7H14OS — CID 11126418

IUPACmethylsulfinylcyclohexane
SMILESCS(=O)C1CCCCC1
InChIInChI=1S/C7H14OS/c1-9(8)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyISJDYHYHRZQRKW-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.70
Rot. Bonds1

About methylsulfinylcyclohexane

methylsulfinylcyclohexane (PubChem CID 11126418) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is methylsulfinylcyclohexane.

Molecular Properties

Compound Namemethylsulfinylcyclohexane
PubChem CID11126418
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Namemethylsulfinylcyclohexane
SMILESCS(=O)C1CCCCC1
InChIInChI=1S/C7H14OS/c1-9(8)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyISJDYHYHRZQRKW-UHFFFAOYSA-N
XLogP1.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methylsulfinylcyclohexane?
The IUPAC name of methylsulfinylcyclohexane (CID 11126418) is methylsulfinylcyclohexane.
What is the SMILES notation for methylsulfinylcyclohexane?
The canonical SMILES for methylsulfinylcyclohexane is CS(=O)C1CCCCC1.
What is the InChIKey of methylsulfinylcyclohexane?
The InChIKey is ISJDYHYHRZQRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-9(8)7-5-3-2-4-6-7/h7H,2-6H2,1H3.
What are the key properties of methylsulfinylcyclohexane?
methylsulfinylcyclohexane has a molecular weight of 146.25 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylcyclohexane is sourced from PubChem (CID 11126418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).