2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine

C16H34N2O2S — CID 106733258

IUPAC2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine
SMILESCCC1(CC)CN(CCS(=O)(=O)CC)C(CC)(CC)CN1
InChIInChI=1S/C16H34N2O2S/c1-6-15(7-2)14-18(11-12-21(19,20)10-5)16(8-3,9-4)13-17-15/h17H,6-14H2,1-5H3
InChIKeyOGAIZZGWKBBYLZ-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.44
Rot. Bonds8

About 2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine

2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine (PubChem CID 106733258) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is 2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine
PubChem CID106733258
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine
SMILESCCC1(CC)CN(CCS(=O)(=O)CC)C(CC)(CC)CN1
InChIInChI=1S/C16H34N2O2S/c1-6-15(7-2)14-18(11-12-21(19,20)10-5)16(8-3,9-4)13-17-15/h17H,6-14H2,1-5H3
InChIKeyOGAIZZGWKBBYLZ-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine
CID 106732956
2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine
CID 64843827
2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine
CID 65097219
2,2,5,5-tetraethyl-1-(2-propoxyethyl)piperazine
CID 106458805
5,5-diethyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106733253
3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64878214
2,2,5,5-tetraethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine
CID 107056079
2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine
CID 65096895
2,5,5-triethyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64860265
2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine
CID 65097594
2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80696303
5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097167

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine?
The IUPAC name of 2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine (CID 106733258) is 2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine.
What is the SMILES notation for 2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine?
The canonical SMILES for 2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine is CCC1(CC)CN(CCS(=O)(=O)CC)C(CC)(CC)CN1.
What is the InChIKey of 2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine?
The InChIKey is OGAIZZGWKBBYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-6-15(7-2)14-18(11-12-21(19,20)10-5)16(8-3,9-4)13-17-15/h17H,6-14H2,1-5H3.
What are the key properties of 2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine?
2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine has a molecular weight of 318.53 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine is sourced from PubChem (CID 106733258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).