2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine

C15H32N2O2S — CID 65097597

IUPAC2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
SMILESCCC1(C)CN(CCCS(=O)(=O)CC)C(C)(CC)CN1
InChIInChI=1S/C15H32N2O2S/c1-6-14(4)13-17(15(5,7-2)12-16-14)10-9-11-20(18,19)8-3/h16H,6-13H2,1-5H3
InChIKeyZQWBZVGEYBOICV-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.05
Rot. Bonds7

About 2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine

2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine (PubChem CID 65097597) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
PubChem CID65097597
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
SMILESCCC1(C)CN(CCCS(=O)(=O)CC)C(C)(CC)CN1
InChIInChI=1S/C15H32N2O2S/c1-6-14(4)13-17(15(5,7-2)12-16-14)10-9-11-20(18,19)8-3/h16H,6-13H2,1-5H3
InChIKeyZQWBZVGEYBOICV-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine
CID 65097594
2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine
CID 65097219
1-butyl-2,5-diethyl-2,5-dimethylpiperazine
CID 64849689
5-ethyl-2,2,5-trimethyl-1-(3-methylsulfonylpropyl)piperazine
CID 64849852
5-ethyl-1,2,2,5-tetramethylpiperazine
CID 64848331
1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64849867
2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine
CID 65096895
2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine
CID 106732956
1-[(2,6-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64850045
8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 81114319
1-[(3,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64849861
1-(3-ethylsulfonylpropyl)-3,3,7-trimethyl-1,4-diazepane
CID 65096269

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine?
The IUPAC name of 2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine (CID 65097597) is 2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine.
What is the SMILES notation for 2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine?
The canonical SMILES for 2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine is CCC1(C)CN(CCCS(=O)(=O)CC)C(C)(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine?
The InChIKey is ZQWBZVGEYBOICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-6-14(4)13-17(15(5,7-2)12-16-14)10-9-11-20(18,19)8-3/h16H,6-13H2,1-5H3.
What are the key properties of 2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine?
2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine has a molecular weight of 304.50 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 65097597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).