5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine

C16H34N2O2S — CID 106733240

IUPAC5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCC1CNC(CC)(CC)CN1CCS(=O)(=O)CCC
InChIInChI=1S/C16H34N2O2S/c1-5-9-15-13-17-16(7-3,8-4)14-18(15)10-12-21(19,20)11-6-2/h15,17H,5-14H2,1-4H3
InChIKeyFHVUZUQCJNLNCU-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.44
Rot. Bonds9

About 5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine

5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine (PubChem CID 106733240) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is 5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine.

Molecular Properties

Compound Name5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine
PubChem CID106733240
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCC1CNC(CC)(CC)CN1CCS(=O)(=O)CCC
InChIInChI=1S/C16H34N2O2S/c1-5-9-15-13-17-16(7-3,8-4)14-18(15)10-12-21(19,20)11-6-2/h15,17H,5-14H2,1-4H3
InChIKeyFHVUZUQCJNLNCU-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-5,5-diethyl-1-(2-propylsulfonylethyl)piperazine
CID 106733248
2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine
CID 64861002
5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64860633
1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine
CID 106733118
5,5-diethyl-1-(2-phenylethyl)-2-propylpiperazine
CID 64860235
5-cyclopropyl-2,5-dimethyl-1-(2-propylsulfonylethyl)piperazine
CID 106733202
5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64860997
5,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]-2-propylpiperazine
CID 107056053
5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097167
2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine
CID 64859659
5-cyclopropyl-1-(2-ethylsulfonylethyl)-2-propylpiperazine
CID 106733268
2,5,5-triethyl-1-methylpiperazine
CID 64859654

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine?
The IUPAC name of 5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine (CID 106733240) is 5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine.
What is the SMILES notation for 5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine?
The canonical SMILES for 5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine is CCCC1CNC(CC)(CC)CN1CCS(=O)(=O)CCC.
What is the InChIKey of 5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine?
The InChIKey is FHVUZUQCJNLNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-5-9-15-13-17-16(7-3,8-4)14-18(15)10-12-21(19,20)11-6-2/h15,17H,5-14H2,1-4H3.
What are the key properties of 5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine?
5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine has a molecular weight of 318.53 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-propyl-1-(2-propylsulfonylethyl)piperazine is sourced from PubChem (CID 106733240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).