1-cyclooctyl-4-ethylsulfonylpiperazine

C14H28N2O2S — CID 883366

IUPAC1-cyclooctyl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-2-19(17,18)16-12-10-15(11-13-16)14-8-6-4-3-5-7-9-14/h14H,2-13H2,1H3
InChIKeyIJBHACJQYNDTSW-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.07
Rot. Bonds3

About 1-cyclooctyl-4-ethylsulfonylpiperazine

1-cyclooctyl-4-ethylsulfonylpiperazine (PubChem CID 883366) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-cyclooctyl-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-cyclooctyl-4-ethylsulfonylpiperazine
PubChem CID883366
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-cyclooctyl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-2-19(17,18)16-12-10-15(11-13-16)14-8-6-4-3-5-7-9-14/h14H,2-13H2,1H3
InChIKeyIJBHACJQYNDTSW-UHFFFAOYSA-N
XLogP2.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-4-ethylsulfonylpiperazine?
The IUPAC name of 1-cyclooctyl-4-ethylsulfonylpiperazine (CID 883366) is 1-cyclooctyl-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-cyclooctyl-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-cyclooctyl-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(C2CCCCCCC2)CC1.
What is the InChIKey of 1-cyclooctyl-4-ethylsulfonylpiperazine?
The InChIKey is IJBHACJQYNDTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-2-19(17,18)16-12-10-15(11-13-16)14-8-6-4-3-5-7-9-14/h14H,2-13H2,1H3.
What are the key properties of 1-cyclooctyl-4-ethylsulfonylpiperazine?
1-cyclooctyl-4-ethylsulfonylpiperazine has a molecular weight of 288.46 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-4-ethylsulfonylpiperazine is sourced from PubChem (CID 883366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).