1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione

C13H24N2O2S — CID 113499375

IUPAC1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(C(C)CSCC)C1=O
InChIInChI=1S/C13H24N2O2S/c1-5-7-11-13(17)15(9(3)8-18-6-2)10(4)12(16)14-11/h9-11H,5-8H2,1-4H3,(H,14,16)
InChIKeyDLDSEYIZXFQAMW-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.64
Rot. Bonds6

About 1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione

1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione (PubChem CID 113499375) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione
PubChem CID113499375
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(C(C)CSCC)C1=O
InChIInChI=1S/C13H24N2O2S/c1-5-7-11-13(17)15(9(3)8-18-6-2)10(4)12(16)14-11/h9-11H,5-8H2,1-4H3,(H,14,16)
InChIKeyDLDSEYIZXFQAMW-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872566
1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969088
6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione
CID 64964662
1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64964702
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371
6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64965569
1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64957236
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390
6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966334
1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64956777
1-(1-ethoxypropan-2-yl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64967295
1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione
CID 116500053

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione (CID 113499375) is 1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(C(C)CSCC)C1=O.
What is the InChIKey of 1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione?
The InChIKey is DLDSEYIZXFQAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-5-7-11-13(17)15(9(3)8-18-6-2)10(4)12(16)14-11/h9-11H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione?
1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione has a molecular weight of 272.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 113499375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).