2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine

C14H30N2O2S — CID 65097594

IUPAC2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine
SMILESCCC1(C)CNC(C)(C)CN1CCCS(=O)(=O)CC
InChIInChI=1S/C14H30N2O2S/c1-6-14(5)11-15-13(3,4)12-16(14)9-8-10-19(17,18)7-2/h15H,6-12H2,1-5H3
InChIKeyWOICQOXBVQKPRK-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.66
Rot. Bonds6

About 2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine

2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine (PubChem CID 65097594) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine
PubChem CID65097594
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine
SMILESCCC1(C)CNC(C)(C)CN1CCCS(=O)(=O)CC
InChIInChI=1S/C14H30N2O2S/c1-6-14(5)11-15-13(3,4)12-16(14)9-8-10-19(17,18)7-2/h15H,6-12H2,1-5H3
InChIKeyWOICQOXBVQKPRK-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

2,5-diethyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
CID 65097597
2,5,5-triethyl-1-(3-ethylsulfonylpropyl)-2-methylpiperazine
CID 65097219
2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine
CID 106732956
1-butyl-2,5-diethyl-2,5-dimethylpiperazine
CID 64849689
1-(cyclopentylmethyl)-2-ethyl-2,5,5-trimethylpiperazine
CID 64838567
1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine
CID 64838559
2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64838757
2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine
CID 64843827
1-(3-ethylsulfonylpropyl)-3,3,7-trimethyl-1,4-diazepane
CID 65096269
2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine
CID 65097540
1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 65097482
2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine
CID 65096895

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine?
The IUPAC name of 2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine (CID 65097594) is 2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine.
What is the SMILES notation for 2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine?
The canonical SMILES for 2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine is CCC1(C)CNC(C)(C)CN1CCCS(=O)(=O)CC.
What is the InChIKey of 2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine?
The InChIKey is WOICQOXBVQKPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-6-14(5)11-15-13(3,4)12-16(14)9-8-10-19(17,18)7-2/h15H,6-12H2,1-5H3.
What are the key properties of 2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine?
2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine 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-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine is sourced from PubChem (CID 65097594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).