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

C14H18N2O2S — CID 64971462

IUPAC3-methyl-1-(2-methylsulfanylethyl)-6-phenylpiperazine-2,5-dione
SMILESCSCCN1C(=O)C(C)NC(=O)C1c1ccccc1
InChIInChI=1S/C14H18N2O2S/c1-10-14(18)16(8-9-19-2)12(13(17)15-10)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,17)
InChIKeyZYCGODKNYFGYSP-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.44
Rot. Bonds4

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

3-methyl-1-(2-methylsulfanylethyl)-6-phenylpiperazine-2,5-dione (PubChem CID 64971462) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-methyl-1-(2-methylsulfanylethyl)-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-methylsulfanylethyl)-6-phenylpiperazine-2,5-dione
PubChem CID64971462
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-methyl-1-(2-methylsulfanylethyl)-6-phenylpiperazine-2,5-dione
SMILESCSCCN1C(=O)C(C)NC(=O)C1c1ccccc1
InChIInChI=1S/C14H18N2O2S/c1-10-14(18)16(8-9-19-2)12(13(17)15-10)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,17)
InChIKeyZYCGODKNYFGYSP-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxybutyl)-3-methyl-6-phenylpiperazine-2,5-dione
CID 64967402
1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione
CID 64872743
1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione
CID 64958331
5-ethyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83256953
2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257620
3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione
CID 64960844
5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83258190
1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione
CID 116790839
2-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257121
3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione
CID 79755635
1-[(2-chlorophenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874852
3-methyl-1-(2-methylpropyl)-6-pyridin-2-ylpiperazine-2,5-dione
CID 11065225

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylsulfanylethyl)-6-phenylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(2-methylsulfanylethyl)-6-phenylpiperazine-2,5-dione (CID 64971462) is 3-methyl-1-(2-methylsulfanylethyl)-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-methylsulfanylethyl)-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-methylsulfanylethyl)-6-phenylpiperazine-2,5-dione is CSCCN1C(=O)C(C)NC(=O)C1c1ccccc1.
What is the InChIKey of 3-methyl-1-(2-methylsulfanylethyl)-6-phenylpiperazine-2,5-dione?
The InChIKey is ZYCGODKNYFGYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-14(18)16(8-9-19-2)12(13(17)15-10)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,17).
What are the key properties of 3-methyl-1-(2-methylsulfanylethyl)-6-phenylpiperazine-2,5-dione?
3-methyl-1-(2-methylsulfanylethyl)-6-phenylpiperazine-2,5-dione has a molecular weight of 278.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylsulfanylethyl)-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64971462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).