1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine

C12H20N2O2S — CID 167040524

IUPAC1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(C2=CC=CCC2)CC1
InChIInChI=1S/C12H20N2O2S/c1-2-17(15,16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-4,6H,2,5,7-11H2,1H3
InChIKeyBZKBLFDDJXVAGW-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.19
Rot. Bonds3

About 1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine

1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine (PubChem CID 167040524) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine
PubChem CID167040524
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(C2=CC=CCC2)CC1
InChIInChI=1S/C12H20N2O2S/c1-2-17(15,16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-4,6H,2,5,7-11H2,1H3
InChIKeyBZKBLFDDJXVAGW-UHFFFAOYSA-N
XLogP1.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine (CID 167040524) is 1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(C2=CC=CCC2)CC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine?
The InChIKey is BZKBLFDDJXVAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-17(15,16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-4,6H,2,5,7-11H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine?
1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine has a molecular weight of 256.37 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-4-ethylsulfonylpiperazine is sourced from PubChem (CID 167040524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).