methylsulfonylcyclohexane

C7H14O2S — CID 13494867

IUPACmethylsulfonylcyclohexane
SMILESCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C7H14O2S/c1-10(8,9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyJVZYBWYGYVTPMR-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.36
Rot. Bonds1

About methylsulfonylcyclohexane

methylsulfonylcyclohexane (PubChem CID 13494867) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is methylsulfonylcyclohexane.

Molecular Properties

Compound Namemethylsulfonylcyclohexane
PubChem CID13494867
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Namemethylsulfonylcyclohexane
SMILESCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C7H14O2S/c1-10(8,9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyJVZYBWYGYVTPMR-UHFFFAOYSA-N
XLogP1.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methylsulfonylcyclohexane?
The IUPAC name of methylsulfonylcyclohexane (CID 13494867) is methylsulfonylcyclohexane.
What is the SMILES notation for methylsulfonylcyclohexane?
The canonical SMILES for methylsulfonylcyclohexane is CS(=O)(=O)C1CCCCC1.
What is the InChIKey of methylsulfonylcyclohexane?
The InChIKey is JVZYBWYGYVTPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-10(8,9)7-5-3-2-4-6-7/h7H,2-6H2,1H3.
What are the key properties of methylsulfonylcyclohexane?
methylsulfonylcyclohexane has a molecular weight of 162.25 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylcyclohexane is sourced from PubChem (CID 13494867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).