6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione

C9H16N2O2S — CID 64971596

IUPAC6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCSC
InChIInChI=1S/C9H16N2O2S/c1-3-7-9(13)10-6-8(12)11(7)4-5-14-2/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyCLWVAPNXCFWKJM-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.09
Rot. Bonds4

About 6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione

6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione (PubChem CID 64971596) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione
PubChem CID64971596
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCSC
InChIInChI=1S/C9H16N2O2S/c1-3-7-9(13)10-6-8(12)11(7)4-5-14-2/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyCLWVAPNXCFWKJM-UHFFFAOYSA-N
XLogP0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione (CID 64971596) is 6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione is CCC1C(=O)NCC(=O)N1CCSC.
What is the InChIKey of 6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione?
The InChIKey is CLWVAPNXCFWKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-3-7-9(13)10-6-8(12)11(7)4-5-14-2/h7H,3-6H2,1-2H3,(H,10,13).
What are the key properties of 6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione?
6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione has a molecular weight of 216.31 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64971596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).