1-cyclooctyl-4-methylsulfonylpiperazine

C13H26N2O2S — CID 1151856

IUPAC1-cyclooctyl-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-18(16,17)15-11-9-14(10-12-15)13-7-5-3-2-4-6-8-13/h13H,2-12H2,1H3
InChIKeySPSOHMQUQHXHJO-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.68
Rot. Bonds2

About 1-cyclooctyl-4-methylsulfonylpiperazine

1-cyclooctyl-4-methylsulfonylpiperazine (PubChem CID 1151856) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-cyclooctyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-cyclooctyl-4-methylsulfonylpiperazine
PubChem CID1151856
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-cyclooctyl-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-18(16,17)15-11-9-14(10-12-15)13-7-5-3-2-4-6-8-13/h13H,2-12H2,1H3
InChIKeySPSOHMQUQHXHJO-UHFFFAOYSA-N
XLogP1.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-4-methylsulfonylpiperazine?
The IUPAC name of 1-cyclooctyl-4-methylsulfonylpiperazine (CID 1151856) is 1-cyclooctyl-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-cyclooctyl-4-methylsulfonylpiperazine?
The canonical SMILES for 1-cyclooctyl-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(C2CCCCCCC2)CC1.
What is the InChIKey of 1-cyclooctyl-4-methylsulfonylpiperazine?
The InChIKey is SPSOHMQUQHXHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-18(16,17)15-11-9-14(10-12-15)13-7-5-3-2-4-6-8-13/h13H,2-12H2,1H3.
What are the key properties of 1-cyclooctyl-4-methylsulfonylpiperazine?
1-cyclooctyl-4-methylsulfonylpiperazine has a molecular weight of 274.43 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 1151856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).