2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine

C15H32N2O2S — CID 65097214

IUPAC2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1CCCS(=O)(=O)CC
InChIInChI=1S/C15H32N2O2S/c1-5-15-11-16-14(10-13(3)4)12-17(15)8-7-9-20(18,19)6-2/h13-16H,5-12H2,1-4H3
InChIKeyYSJQYMWARAUBDE-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.91
Rot. Bonds8

About 2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine

2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine (PubChem CID 65097214) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
PubChem CID65097214
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1CCCS(=O)(=O)CC
InChIInChI=1S/C15H32N2O2S/c1-5-15-11-16-14(10-13(3)4)12-17(15)8-7-9-20(18,19)6-2/h13-16H,5-12H2,1-4H3
InChIKeyYSJQYMWARAUBDE-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine
CID 65096899
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 106733055
2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine
CID 65097314
2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64849321
5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine
CID 106732985
5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
CID 64847770
1-(2-cyclopentylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64934770
2-ethyl-1-(2-ethylbutyl)-5-(2-methylpropyl)piperazine
CID 82925413
1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64941869
5-(2-methylpropyl)-1-octyl-2-propylpiperazine
CID 64847186

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine (CID 65097214) is 2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine is CCC1CNC(CC(C)C)CN1CCCS(=O)(=O)CC.
What is the InChIKey of 2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine?
The InChIKey is YSJQYMWARAUBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-5-15-11-16-14(10-13(3)4)12-17(15)8-7-9-20(18,19)6-2/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine?
2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine has a molecular weight of 304.50 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 65097214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).