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

C13H22N2O2S — CID 113474625

IUPAC6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C2CC2)N(CCSC)C1=O
InChIInChI=1S/C13H22N2O2S/c1-3-4-10-13(17)15(7-8-18-2)11(9-5-6-9)12(16)14-10/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyMVJHKAFAPKQQJP-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.26
Rot. Bonds6

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

6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione (PubChem CID 113474625) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
PubChem CID113474625
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C2CC2)N(CCSC)C1=O
InChIInChI=1S/C13H22N2O2S/c1-3-4-10-13(17)15(7-8-18-2)11(9-5-6-9)12(16)14-10/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyMVJHKAFAPKQQJP-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-1-(2-methoxyethyl)-3-propylpiperazine-2,5-dione
CID 64873961
6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
CID 64971608
6-cyclopropyl-1-(cyclopropylmethyl)-3-propylpiperazine-2,5-dione
CID 64874160
6-cyclopropyl-3-ethyl-1-propylpiperazine-2,5-dione
CID 64901468
6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione
CID 64872785
6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione
CID 64902231
6-cyclopropyl-3-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64901847
6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627626
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
1-(2-fluoroethyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 80698044
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371
6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64903765

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione (CID 113474625) is 6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C2CC2)N(CCSC)C1=O.
What is the InChIKey of 6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione?
The InChIKey is MVJHKAFAPKQQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-4-10-13(17)15(7-8-18-2)11(9-5-6-9)12(16)14-10/h9-11H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione?
6-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione has a molecular weight of 270.40 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-cyclopropyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 113474625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).