1-cyclohexylsulfonylethylsulfonylcyclohexane

C14H26O4S2 — CID 21049874

IUPAC1-cyclohexylsulfonylethylsulfonylcyclohexane
SMILESCC(S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H26O4S2/c1-12(19(15,16)13-8-4-2-5-9-13)20(17,18)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3
InChIKeyUNCBLLDHYQJYOX-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.83
Rot. Bonds4

About 1-cyclohexylsulfonylethylsulfonylcyclohexane

1-cyclohexylsulfonylethylsulfonylcyclohexane (PubChem CID 21049874) has the molecular formula C14H26O4S2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-cyclohexylsulfonylethylsulfonylcyclohexane.

Molecular Properties

Compound Name1-cyclohexylsulfonylethylsulfonylcyclohexane
PubChem CID21049874
Molecular FormulaC14H26O4S2
Molecular Weight322.49 g/mol
Exact Mass322.13
IUPAC Name1-cyclohexylsulfonylethylsulfonylcyclohexane
SMILESCC(S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H26O4S2/c1-12(19(15,16)13-8-4-2-5-9-13)20(17,18)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3
InChIKeyUNCBLLDHYQJYOX-UHFFFAOYSA-N
XLogP2.83
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonylethylsulfonylcyclohexane?
The IUPAC name of 1-cyclohexylsulfonylethylsulfonylcyclohexane (CID 21049874) is 1-cyclohexylsulfonylethylsulfonylcyclohexane.
What is the SMILES notation for 1-cyclohexylsulfonylethylsulfonylcyclohexane?
The canonical SMILES for 1-cyclohexylsulfonylethylsulfonylcyclohexane is CC(S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfonylethylsulfonylcyclohexane?
The InChIKey is UNCBLLDHYQJYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4S2/c1-12(19(15,16)13-8-4-2-5-9-13)20(17,18)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3.
What are the key properties of 1-cyclohexylsulfonylethylsulfonylcyclohexane?
1-cyclohexylsulfonylethylsulfonylcyclohexane has a molecular weight of 322.49 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonylethylsulfonylcyclohexane is sourced from PubChem (CID 21049874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).