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

C13H24N2O2S — CID 113474647

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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