1-cyclopentyl-4-ethylsulfonylpiperazine

C11H22N2O2S — CID 740709

IUPAC1-cyclopentyl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C11H22N2O2S/c1-2-16(14,15)13-9-7-12(8-10-13)11-5-3-4-6-11/h11H,2-10H2,1H3
InChIKeyKIQKWBXGCWYNIE-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.90
Rot. Bonds3

About 1-cyclopentyl-4-ethylsulfonylpiperazine

1-cyclopentyl-4-ethylsulfonylpiperazine (PubChem CID 740709) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-cyclopentyl-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-ethylsulfonylpiperazine
PubChem CID740709
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-cyclopentyl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C11H22N2O2S/c1-2-16(14,15)13-9-7-12(8-10-13)11-5-3-4-6-11/h11H,2-10H2,1H3
InChIKeyKIQKWBXGCWYNIE-UHFFFAOYSA-N
XLogP0.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-ethylsulfonylpiperazine?
The IUPAC name of 1-cyclopentyl-4-ethylsulfonylpiperazine (CID 740709) is 1-cyclopentyl-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-cyclopentyl-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-cyclopentyl-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-ethylsulfonylpiperazine?
The InChIKey is KIQKWBXGCWYNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-2-16(14,15)13-9-7-12(8-10-13)11-5-3-4-6-11/h11H,2-10H2,1H3.
What are the key properties of 1-cyclopentyl-4-ethylsulfonylpiperazine?
1-cyclopentyl-4-ethylsulfonylpiperazine has a molecular weight of 246.38 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-ethylsulfonylpiperazine is sourced from PubChem (CID 740709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).