5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine

C15H32N2O2S — CID 64860633

IUPAC5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
SMILESCCC1(CC)CN(CCS(C)(=O)=O)C(CC(C)C)CN1
InChIInChI=1S/C15H32N2O2S/c1-6-15(7-2)12-17(8-9-20(5,18)19)14(11-16-15)10-13(3)4/h13-14,16H,6-12H2,1-5H3
InChIKeyFEYHHEVEFKSDQV-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.91
Rot. Bonds7

About 5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine

5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine (PubChem CID 64860633) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
PubChem CID64860633
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
SMILESCCC1(CC)CN(CCS(C)(=O)=O)C(CC(C)C)CN1
InChIInChI=1S/C15H32N2O2S/c1-6-15(7-2)12-17(8-9-20(5,18)19)14(11-16-15)10-13(3)4/h13-14,16H,6-12H2,1-5H3
InChIKeyFEYHHEVEFKSDQV-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Analyze 5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine
CID 64861002
5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64860997
1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine
CID 64860054
5,5-diethyl-2-(2-methylpropyl)-1-(2-propan-2-yloxyethyl)piperazine
CID 64860823
5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine
CID 64862556
1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine
CID 114013955
2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64849321
5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine
CID 106733240
5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
CID 64860440
1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 64838733
5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
CID 64847770
5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097167

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine (CID 64860633) is 5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine is CCC1(CC)CN(CCS(C)(=O)=O)C(CC(C)C)CN1.
What is the InChIKey of 5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
The InChIKey is FEYHHEVEFKSDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-6-15(7-2)12-17(8-9-20(5,18)19)14(11-16-15)10-13(3)4/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine?
5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine has a molecular weight of 304.50 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 64860633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).