3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione

C14H26N2O2S — CID 64972041

IUPAC3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(CC(C)CSC)C1=O
InChIInChI=1S/C14H26N2O2S/c1-6-11-14(18)16(7-10(4)8-19-5)12(9(2)3)13(17)15-11/h9-12H,6-8H2,1-5H3,(H,15,17)
InChIKeyKFDDMOQTYDYDPG-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.75
Rot. Bonds6

About 3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione

3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64972041) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64972041
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(CC(C)CSC)C1=O
InChIInChI=1S/C14H26N2O2S/c1-6-11-14(18)16(7-10(4)8-19-5)12(9(2)3)13(17)15-11/h9-12H,6-8H2,1-5H3,(H,15,17)
InChIKeyKFDDMOQTYDYDPG-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
3-ethyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963679
3-ethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733557
3-ethyl-6-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901074
5-ethyl-3-(2-methyl-3-methylsulfanylpropyl)-2-propylimidazolidin-4-one
CID 83257307
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409230
3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 115943732
3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79351077
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64903182
3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64963527
3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959747
3-ethyl-1-[(5-methyloxolan-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 103141807

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64972041) is 3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(CC(C)CSC)C1=O.
What is the InChIKey of 3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is KFDDMOQTYDYDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-6-11-14(18)16(7-10(4)8-19-5)12(9(2)3)13(17)15-11/h9-12H,6-8H2,1-5H3,(H,15,17).
What are the key properties of 3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 286.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64972041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).