cyclohexane;methylsulfonylmethane

C8H18O2S — CID 157259973

IUPACcyclohexane;methylsulfonylmethane
SMILESC1CCCCC1.CS(C)(=O)=O
InChIInChI=1S/C6H12.C2H6O2S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H2;1-2H3
InChIKeyAXIMEBDXBLFKCO-UHFFFAOYSA-N
MW178.30 g/mol
LogP2.00
Rot. Bonds

About cyclohexane;methylsulfonylmethane

cyclohexane;methylsulfonylmethane (PubChem CID 157259973) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is cyclohexane;methylsulfonylmethane.

Molecular Properties

Compound Namecyclohexane;methylsulfonylmethane
PubChem CID157259973
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Namecyclohexane;methylsulfonylmethane
SMILESC1CCCCC1.CS(C)(=O)=O
InChIInChI=1S/C6H12.C2H6O2S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H2;1-2H3
InChIKeyAXIMEBDXBLFKCO-UHFFFAOYSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;methylsulfonylmethane?
The IUPAC name of cyclohexane;methylsulfonylmethane (CID 157259973) is cyclohexane;methylsulfonylmethane.
What is the SMILES notation for cyclohexane;methylsulfonylmethane?
The canonical SMILES for cyclohexane;methylsulfonylmethane is C1CCCCC1.CS(C)(=O)=O.
What is the InChIKey of cyclohexane;methylsulfonylmethane?
The InChIKey is AXIMEBDXBLFKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C2H6O2S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H2;1-2H3.
What are the key properties of cyclohexane;methylsulfonylmethane?
cyclohexane;methylsulfonylmethane has a molecular weight of 178.30 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;methylsulfonylmethane is sourced from PubChem (CID 157259973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).