2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine

C14H30N2O2S — CID 106732956

IUPAC2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine
SMILESCCC1(CC)CNC(C)(C)CN1CCS(=O)(=O)CC
InChIInChI=1S/C14H30N2O2S/c1-6-14(7-2)11-15-13(4,5)12-16(14)9-10-19(17,18)8-3/h15H,6-12H2,1-5H3
InChIKeyXXVSSFWXJPWLFK-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.66
Rot. Bonds6

About 2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine

2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine (PubChem CID 106732956) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine
PubChem CID106732956
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine
SMILESCCC1(CC)CNC(C)(C)CN1CCS(=O)(=O)CC
InChIInChI=1S/C14H30N2O2S/c1-6-14(7-2)11-15-13(4,5)12-16(14)9-10-19(17,18)8-3/h15H,6-12H2,1-5H3
InChIKeyXXVSSFWXJPWLFK-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine
CID 64843827
2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine
CID 106733258
2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine
CID 65097594
1-(2-ethoxyethyl)-2,2-diethyl-5,5-dimethylpiperazine
CID 64841105
3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64878214
2-cyclopropyl-2,5,5-trimethyl-1-(2-propylsulfonylethyl)piperazine
CID 106732968
2,2,5,5-tetramethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106732951
2,2-diethyl-5,5-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170575
2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine
CID 65096895
2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
CID 65097597
2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine
CID 65097219
3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106732966

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine?
The IUPAC name of 2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine (CID 106732956) is 2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine.
What is the SMILES notation for 2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine?
The canonical SMILES for 2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine is CCC1(CC)CNC(C)(C)CN1CCS(=O)(=O)CC.
What is the InChIKey of 2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine?
The InChIKey is XXVSSFWXJPWLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-6-14(7-2)11-15-13(4,5)12-16(14)9-10-19(17,18)8-3/h15H,6-12H2,1-5H3.
What are the key properties of 2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine?
2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine has a molecular weight of 290.47 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine is sourced from PubChem (CID 106732956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).