2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine

C12H26N2S — CID 64937828

IUPAC2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine
SMILESCCC1CNC(C)CN1CC(C)CSC
InChIInChI=1S/C12H26N2S/c1-5-12-6-13-11(3)8-14(12)7-10(2)9-15-4/h10-13H,5-9H2,1-4H3
InChIKeyRGBUAWIHAUAQGR-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.06
Rot. Bonds5

About 2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine

2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine (PubChem CID 64937828) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine.

Molecular Properties

Compound Name2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine
PubChem CID64937828
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine
SMILESCCC1CNC(C)CN1CC(C)CSC
InChIInChI=1S/C12H26N2S/c1-5-12-6-13-11(3)8-14(12)7-10(2)9-15-4/h10-13H,5-9H2,1-4H3
InChIKeyRGBUAWIHAUAQGR-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine
CID 96769528
2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine
CID 64844318
1-[(E)-but-2-enyl]-2-ethyl-5-methylpiperazine
CID 107897884
2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
CID 81112995
3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64936336
5-cyclopropyl-2-ethyl-1-(3-methoxy-2-methylpropyl)piperazine
CID 64946387
5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine
CID 64937634
2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine
CID 64939101
2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938399
2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine
CID 64877650
1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106732837
2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine
CID 79224352

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine?
The IUPAC name of 2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine (CID 64937828) is 2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine.
What is the SMILES notation for 2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine?
The canonical SMILES for 2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine is CCC1CNC(C)CN1CC(C)CSC.
What is the InChIKey of 2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine?
The InChIKey is RGBUAWIHAUAQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-5-12-6-13-11(3)8-14(12)7-10(2)9-15-4/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine?
2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine has a molecular weight of 230.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperazine is sourced from PubChem (CID 64937828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).