3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione

C15H20N2O2S — CID 79223836

IUPAC3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(CCSc2ccccc2)C1=O
InChIInChI=1S/C15H20N2O2S/c1-3-15(2)14(19)17(11-13(18)16-15)9-10-20-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,16,18)
InChIKeyXQXIALQOVKFBTC-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.91
Rot. Bonds5

About 3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione

3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione (PubChem CID 79223836) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione
PubChem CID79223836
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(CCSc2ccccc2)C1=O
InChIInChI=1S/C15H20N2O2S/c1-3-15(2)14(19)17(11-13(18)16-15)9-10-20-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,16,18)
InChIKeyXQXIALQOVKFBTC-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.91
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-phenylsulfanylethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione (CID 79223836) is 3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione is CCC1(C)NC(=O)CN(CCSc2ccccc2)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione?
The InChIKey is XQXIALQOVKFBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-15(2)14(19)17(11-13(18)16-15)9-10-20-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,16,18).
What are the key properties of 3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione?
3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione has a molecular weight of 292.40 g/mol, XLogP of 1.91, 5 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-phenylsulfanylethyl)piperazine-2,5-dione is sourced from PubChem (CID 79223836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).