5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one

C12H24N2O3S — CID 83264830

IUPAC5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C12H24N2O3S/c1-5-6-7-11-12(15)14(10(3)13-11)9(2)8-18(4,16)17/h9-11,13H,5-8H2,1-4H3
InChIKeyZMKBXXZWZKWOCD-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.76
Rot. Bonds6

About 5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one

5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one (PubChem CID 83264830) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
PubChem CID83264830
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
SMILESCCCCC1NC(C)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C12H24N2O3S/c1-5-6-7-11-12(15)14(10(3)13-11)9(2)8-18(4,16)17/h9-11,13H,5-8H2,1-4H3
InChIKeyZMKBXXZWZKWOCD-UHFFFAOYSA-N
XLogP0.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butyl-2-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83239016
5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one
CID 83264581
5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83246045
3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83264436
2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one
CID 83252812
5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one
CID 83264217
3-(1-methoxypropan-2-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83240070
5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83253856
5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83264729
5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one
CID 83259831
5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one
CID 83262835
5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83264275

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
The IUPAC name of 5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one (CID 83264830) is 5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one is CCCCC1NC(C)N(C(C)CS(C)(=O)=O)C1=O.
What is the InChIKey of 5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
The InChIKey is ZMKBXXZWZKWOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-5-6-7-11-12(15)14(10(3)13-11)9(2)8-18(4,16)17/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one?
5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one has a molecular weight of 276.40 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83264830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).