cyclohexylsulfonylmethylsulfonylcyclohexane

C13H24O4S2 — CID 12910600

IUPACcyclohexylsulfonylmethylsulfonylcyclohexane
SMILESO=S(=O)(CS(=O)(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H24O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h12-13H,1-11H2
InChIKeyHAJPWFAOIWTMDL-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.44
Rot. Bonds4

About cyclohexylsulfonylmethylsulfonylcyclohexane

cyclohexylsulfonylmethylsulfonylcyclohexane (PubChem CID 12910600) has the molecular formula C13H24O4S2 and a molecular weight of 308.47 g/mol. Its IUPAC name is cyclohexylsulfonylmethylsulfonylcyclohexane.

Molecular Properties

Compound Namecyclohexylsulfonylmethylsulfonylcyclohexane
PubChem CID12910600
Molecular FormulaC13H24O4S2
Molecular Weight308.47 g/mol
Exact Mass308.11
IUPAC Namecyclohexylsulfonylmethylsulfonylcyclohexane
SMILESO=S(=O)(CS(=O)(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H24O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h12-13H,1-11H2
InChIKeyHAJPWFAOIWTMDL-UHFFFAOYSA-N
XLogP2.44
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfonylmethylsulfonylcyclohexane?
The IUPAC name of cyclohexylsulfonylmethylsulfonylcyclohexane (CID 12910600) is cyclohexylsulfonylmethylsulfonylcyclohexane.
What is the SMILES notation for cyclohexylsulfonylmethylsulfonylcyclohexane?
The canonical SMILES for cyclohexylsulfonylmethylsulfonylcyclohexane is O=S(=O)(CS(=O)(=O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexylsulfonylmethylsulfonylcyclohexane?
The InChIKey is HAJPWFAOIWTMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h12-13H,1-11H2.
What are the key properties of cyclohexylsulfonylmethylsulfonylcyclohexane?
cyclohexylsulfonylmethylsulfonylcyclohexane has a molecular weight of 308.47 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfonylmethylsulfonylcyclohexane is sourced from PubChem (CID 12910600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).