3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione

C13H24N2O2S — CID 113474647

IUPAC3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)(CC)C(=O)N1CCSC
InChIInChI=1S/C13H24N2O2S/c1-5-7-10-11(16)14-13(3,6-2)12(17)15(10)8-9-18-4/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyXTPUKUUPRMHVSJ-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.65
Rot. Bonds6

About 3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione

3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione (PubChem CID 113474647) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione
PubChem CID113474647
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)(CC)C(=O)N1CCSC
InChIInChI=1S/C13H24N2O2S/c1-5-7-10-11(16)14-13(3,6-2)12(17)15(10)8-9-18-4/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyXTPUKUUPRMHVSJ-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(2-methoxyethyl)-3-methyl-6-propylpiperazine-2,5-dione
CID 64886432
1-(cyclobutylmethyl)-3-ethyl-3-methyl-6-propylpiperazine-2,5-dione
CID 65460685
3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64886050
3,6-diethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine-2,5-dione
CID 106432836
3,3-diethyl-1,6-dipropylpiperazine-2,5-dione
CID 64886735
5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83258114
3-cyclopropyl-3-methyl-1,6-dipropylpiperazine-2,5-dione
CID 64886332
3-ethyl-3,6-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]piperazine-2,5-dione
CID 64972263
3,6-diethyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64886046
2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83256949
1-butyl-3-cyclopropyl-3-methyl-6-propylpiperazine-2,5-dione
CID 64887854
3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione
CID 106733595

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione (CID 113474647) is 3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C)(CC)C(=O)N1CCSC.
What is the InChIKey of 3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione?
The InChIKey is XTPUKUUPRMHVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-5-7-10-11(16)14-13(3,6-2)12(17)15(10)8-9-18-4/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione?
3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione has a molecular weight of 272.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 113474647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).