cyclohexylsulfonylcyclohexane

C12H22O2S — CID 15707012

IUPACcyclohexylsulfonylcyclohexane
SMILESO=S(=O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H22O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyMZUPWNMULGRONZ-UHFFFAOYSA-N
MW230.37 g/mol
LogP3.07
Rot. Bonds2

About cyclohexylsulfonylcyclohexane

cyclohexylsulfonylcyclohexane (PubChem CID 15707012) has the molecular formula C12H22O2S and a molecular weight of 230.37 g/mol. Its IUPAC name is cyclohexylsulfonylcyclohexane.

Molecular Properties

Compound Namecyclohexylsulfonylcyclohexane
PubChem CID15707012
Molecular FormulaC12H22O2S
Molecular Weight230.37 g/mol
Exact Mass230.13
IUPAC Namecyclohexylsulfonylcyclohexane
SMILESO=S(=O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H22O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyMZUPWNMULGRONZ-UHFFFAOYSA-N
XLogP3.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-Sulfinylbis(cyclohexane)
CID 202776
1-Fluoro-4-(4-fluorocyclohexyl)sulfonylcyclohexane
CID 44228562
1-Fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane
CID 66796028
1-Fluoro-3-(3-fluorocyclohexyl)sulfonylcyclohexane
CID 66796235
Cyclopentylsulfonylcyclohexane
CID 284502
1-Cyclohexylsulfonylethylsulfonylcyclohexane
CID 21049874
2-Cyclohexylsulfinylethylsulfinylcyclohexane
CID 135085101
2-Fluorobutan-2-ylsulfonylcyclohexane
CID 159610844
2-Fluoropentan-2-ylsulfonylcyclohexane
CID 159610847
2-Cyclohexylsulfonylethyl(trimethyl)stannane
CID 12901388
Bis(cyclohexylsulfonyl)methane
CID 12910600
Butylsulfonylcyclohexane
CID 13494868

Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfonylcyclohexane?
The IUPAC name of cyclohexylsulfonylcyclohexane (CID 15707012) is cyclohexylsulfonylcyclohexane.
What is the SMILES notation for cyclohexylsulfonylcyclohexane?
The canonical SMILES for cyclohexylsulfonylcyclohexane is O=S(=O)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexylsulfonylcyclohexane?
The InChIKey is MZUPWNMULGRONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of cyclohexylsulfonylcyclohexane?
cyclohexylsulfonylcyclohexane has a molecular weight of 230.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfonylcyclohexane is sourced from PubChem (CID 15707012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).