(3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione

C15H20N2O2S — CID 57496729

IUPAC(3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione
SMILESCSCC[C@H]1NC(=O)[C@@H]([C@H](C)c2ccccc2)NC1=O
InChIInChI=1S/C15H20N2O2S/c1-10(11-6-4-3-5-7-11)13-15(19)16-12(8-9-20-2)14(18)17-13/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t10-,12-,13-/m1/s1
InChIKeyTXQOKWXWPIXRSQ-RAIGVLPGSA-N
MW292.40 g/mol
LogP1.53
Rot. Bonds5

About (3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione

(3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione (PubChem CID 57496729) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione
PubChem CID57496729
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione
SMILESCSCC[C@H]1NC(=O)[C@@H]([C@H](C)c2ccccc2)NC1=O
InChIInChI=1S/C15H20N2O2S/c1-10(11-6-4-3-5-7-11)13-15(19)16-12(8-9-20-2)14(18)17-13/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t10-,12-,13-/m1/s1
InChIKeyTXQOKWXWPIXRSQ-RAIGVLPGSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione?
The IUPAC name of (3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione (CID 57496729) is (3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione.
What is the SMILES notation for (3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione?
The canonical SMILES for (3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione is CSCC[C@H]1NC(=O)[C@@H]([C@H](C)c2ccccc2)NC1=O.
What is the InChIKey of (3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione?
The InChIKey is TXQOKWXWPIXRSQ-RAIGVLPGSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10(11-6-4-3-5-7-11)13-15(19)16-12(8-9-20-2)14(18)17-13/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t10-,12-,13-/m1/s1.
What are the key properties of (3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione?
(3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione has a molecular weight of 292.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione is sourced from PubChem (CID 57496729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).