1-(benzenesulfonyl)-4-cyclooctylpiperazine

C18H28N2O2S — CID 777562

IUPAC1-(benzenesulfonyl)-4-cyclooctylpiperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C18H28N2O2S/c21-23(22,18-11-7-4-8-12-18)20-15-13-19(14-16-20)17-9-5-2-1-3-6-10-17/h4,7-8,11-12,17H,1-3,5-6,9-10,13-16H2
InChIKeyBOVMIEZUNSQJTD-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.11
Rot. Bonds3

About 1-(benzenesulfonyl)-4-cyclooctylpiperazine

1-(benzenesulfonyl)-4-cyclooctylpiperazine (PubChem CID 777562) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-cyclooctylpiperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-cyclooctylpiperazine
PubChem CID777562
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name1-(benzenesulfonyl)-4-cyclooctylpiperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C18H28N2O2S/c21-23(22,18-11-7-4-8-12-18)20-15-13-19(14-16-20)17-9-5-2-1-3-6-10-17/h4,7-8,11-12,17H,1-3,5-6,9-10,13-16H2
InChIKeyBOVMIEZUNSQJTD-UHFFFAOYSA-N
XLogP3.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-cyclooctylpiperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-cyclooctylpiperazine (CID 777562) is 1-(benzenesulfonyl)-4-cyclooctylpiperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-cyclooctylpiperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-cyclooctylpiperazine is O=S(=O)(c1ccccc1)N1CCN(C2CCCCCCC2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-cyclooctylpiperazine?
The InChIKey is BOVMIEZUNSQJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c21-23(22,18-11-7-4-8-12-18)20-15-13-19(14-16-20)17-9-5-2-1-3-6-10-17/h4,7-8,11-12,17H,1-3,5-6,9-10,13-16H2.
What are the key properties of 1-(benzenesulfonyl)-4-cyclooctylpiperazine?
1-(benzenesulfonyl)-4-cyclooctylpiperazine has a molecular weight of 336.50 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-cyclooctylpiperazine is sourced from PubChem (CID 777562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).