5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one

C13H26N2OS — CID 83258114

IUPAC5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
SMILESCCC1(C)NC(CC(C)C)N(CCSC)C1=O
InChIInChI=1S/C13H26N2OS/c1-6-13(4)12(16)15(7-8-17-5)11(14-13)9-10(2)3/h10-11,14H,6-9H2,1-5H3
InChIKeySDRFOFIBSNAORE-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.32
Rot. Bonds6

About 5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one

5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one (PubChem CID 83258114) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
PubChem CID83258114
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
SMILESCCC1(C)NC(CC(C)C)N(CCSC)C1=O
InChIInChI=1S/C13H26N2OS/c1-6-13(4)12(16)15(7-8-17-5)11(14-13)9-10(2)3/h10-11,14H,6-9H2,1-5H3
InChIKeySDRFOFIBSNAORE-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83260603
5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260128
5-ethyl-3-(3-methoxy-2-methylpropyl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83249392
2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83256949
5-ethyl-5-methyl-3-(4-methylpentyl)-2-propylimidazolidin-4-one
CID 83255455
2-(2,4-difluorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83263534
3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione
CID 113474647
2,5-diethyl-5-methyl-3-octylimidazolidin-4-one
CID 83260188
5-ethyl-2-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83263533
2,5-diethyl-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256120
3-[2-(dimethylamino)propyl]-2,5-diethyl-5-methylimidazolidin-4-one
CID 83250197
5-ethyl-5-methyl-3-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83243083

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one (CID 83258114) is 5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one is CCC1(C)NC(CC(C)C)N(CCSC)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one?
The InChIKey is SDRFOFIBSNAORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-6-13(4)12(16)15(7-8-17-5)11(14-13)9-10(2)3/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one?
5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one has a molecular weight of 258.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one is sourced from PubChem (CID 83258114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).