5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one

C14H28N2O3S — CID 83258702

IUPAC5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one
SMILESCCCCC1NC(CC)N(CC(C)(C)S(C)(=O)=O)C1=O
InChIInChI=1S/C14H28N2O3S/c1-6-8-9-11-13(17)16(12(7-2)15-11)10-14(3,4)20(5,18)19/h11-12,15H,6-10H2,1-5H3
InChIKeyJATXOFATORQIAZ-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.54
Rot. Bonds7

About 5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one

5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one (PubChem CID 83258702) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one
PubChem CID83258702
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one
SMILESCCCCC1NC(CC)N(CC(C)(C)S(C)(=O)=O)C1=O
InChIInChI=1S/C14H28N2O3S/c1-6-8-9-11-13(17)16(12(7-2)15-11)10-14(3,4)20(5,18)19/h11-12,15H,6-10H2,1-5H3
InChIKeyJATXOFATORQIAZ-UHFFFAOYSA-N
XLogP1.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83269097
5-butyl-3-(2-methoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 104767723
2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one
CID 83245289
3-(2,2-dimethylbutyl)-2,5-diethylimidazolidin-4-one
CID 103466875
5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
CID 83237995
5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254451
5-butyl-2-ethyl-3-(4-methylcyclohexyl)imidazolidin-4-one
CID 83238921
5-butyl-2-propyl-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
CID 83269331
5-butyl-2-ethyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83270228
5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one
CID 83246817
3-[2-(dimethylamino)-2-methylpropyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83253533
2-ethyl-5-propyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260860

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one (CID 83258702) is 5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one is CCCCC1NC(CC)N(CC(C)(C)S(C)(=O)=O)C1=O.
What is the InChIKey of 5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one?
The InChIKey is JATXOFATORQIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-6-8-9-11-13(17)16(12(7-2)15-11)10-14(3,4)20(5,18)19/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one?
5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one has a molecular weight of 304.46 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83258702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).