6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione

C12H22N2O2S — CID 64971608

IUPAC6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(CCSC)C1=O
InChIInChI=1S/C12H22N2O2S/c1-4-6-9-12(16)14(7-8-17-3)10(5-2)11(15)13-9/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyDEVRJNKKQWCGJD-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.26
Rot. Bonds6

About 6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione

6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione (PubChem CID 64971608) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
PubChem CID64971608
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(CCSC)C1=O
InChIInChI=1S/C12H22N2O2S/c1-4-6-9-12(16)14(7-8-17-3)10(5-2)11(15)13-9/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyDEVRJNKKQWCGJD-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-3-propyl-1-(2-prop-2-ynylsulfanylethyl)piperazine-2,5-dione
CID 106432992
6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
CID 113474625
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione
CID 106210830
6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522571
1-(2-fluoroethyl)-3,6-dipropylpiperazine-2,5-dione
CID 80698187
6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 106409675
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione
CID 64955942
6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64970533
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627626

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione (CID 64971608) is 6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(CC)N(CCSC)C1=O.
What is the InChIKey of 6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione?
The InChIKey is DEVRJNKKQWCGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-4-6-9-12(16)14(7-8-17-3)10(5-2)11(15)13-9/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione?
6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione has a molecular weight of 258.39 g/mol, XLogP of 1.26, 6 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)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64971608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).