5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one

C12H24N2O2S — CID 113488487

IUPAC5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C)C(=O)N1CCCS(C)=O
InChIInChI=1S/C12H24N2O2S/c1-9(2)8-11-13-10(3)12(15)14(11)6-5-7-17(4)16/h9-11,13H,5-8H2,1-4H3
InChIKeyABLDJIKBFMUNTH-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.95
Rot. Bonds6

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

5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one (PubChem CID 113488487) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one
PubChem CID113488487
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C)C(=O)N1CCCS(C)=O
InChIInChI=1S/C12H24N2O2S/c1-9(2)8-11-13-10(3)12(15)14(11)6-5-7-17(4)16/h9-11,13H,5-8H2,1-4H3
InChIKeyABLDJIKBFMUNTH-UHFFFAOYSA-N
XLogP0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hexyl-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83265031
3-ethyl-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83239439
3-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83236846
5-methyl-2-(2-methylpropyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83255731
5-methyl-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767663
3-(2,3-dimethylbutyl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83258725
methyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate
CID 83256808
3-(2,2-dicyclopropylethyl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83258681
3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83254863
5-methyl-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83249314
3-(4-methylpentyl)-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83254785
5-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2-propan-2-ylimidazolidin-4-one
CID 113480746

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one?
The IUPAC name of 5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one (CID 113488487) is 5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one?
The canonical SMILES for 5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one is CC(C)CC1NC(C)C(=O)N1CCCS(C)=O.
What is the InChIKey of 5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one?
The InChIKey is ABLDJIKBFMUNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-9(2)8-11-13-10(3)12(15)14(11)6-5-7-17(4)16/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one?
5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one has a molecular weight of 260.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one is sourced from PubChem (CID 113488487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).