3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione

C15H20N2O2S — CID 64962224

IUPAC3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2ccc(SC)cc2)C1=O
InChIInChI=1S/C15H20N2O2S/c1-4-12-15(19)17(13(5-2)14(18)16-12)10-6-8-11(20-3)9-7-10/h6-9,12-13H,4-5H2,1-3H3,(H,16,18)
InChIKeyYKRCRNBQGGMOFF-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.43
Rot. Bonds4

About 3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione

3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione (PubChem CID 64962224) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
PubChem CID64962224
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2ccc(SC)cc2)C1=O
InChIInChI=1S/C15H20N2O2S/c1-4-12-15(19)17(13(5-2)14(18)16-12)10-6-8-11(20-3)9-7-10/h6-9,12-13H,4-5H2,1-3H3,(H,16,18)
InChIKeyYKRCRNBQGGMOFF-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione (CID 64962224) is 3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione is CCC1NC(=O)C(CC)N(c2ccc(SC)cc2)C1=O.
What is the InChIKey of 3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione?
The InChIKey is YKRCRNBQGGMOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-4-12-15(19)17(13(5-2)14(18)16-12)10-6-8-11(20-3)9-7-10/h6-9,12-13H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione?
3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione has a molecular weight of 292.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64962224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).