5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one

C14H28N2O3S — CID 83262835

IUPAC5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)CC)C(=O)N1C(C)CS(C)(=O)=O
InChIInChI=1S/C14H28N2O3S/c1-6-8-12-15-13(10(3)7-2)14(17)16(12)11(4)9-20(5,18)19/h10-13,15H,6-9H2,1-5H3
InChIKeyDOVQBSZNINASQF-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.39
Rot. Bonds7

About 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one

5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one (PubChem CID 83262835) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one
PubChem CID83262835
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)CC)C(=O)N1C(C)CS(C)(=O)=O
InChIInChI=1S/C14H28N2O3S/c1-6-8-12-15-13(10(3)7-2)14(17)16(12)11(4)9-20(5,18)19/h10-13,15H,6-9H2,1-5H3
InChIKeyDOVQBSZNINASQF-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propylimidazolidin-4-one
CID 83263112
5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83264271
5-butan-2-yl-3-pentan-3-yl-2-propylimidazolidin-4-one
CID 83241971
5-butan-2-yl-3-(1-ethoxypropan-2-yl)-2-propylimidazolidin-4-one
CID 83247716
5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one
CID 83260057
5-butan-2-yl-3-(1-cyclopropylbutan-2-yl)-2-propylimidazolidin-4-one
CID 83263556
5-butan-2-yl-3-(1-methoxy-3-methylbutan-2-yl)-2-propylimidazolidin-4-one
CID 83259061
5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one
CID 83248188
3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83264436
5-butan-2-yl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylimidazolidin-4-one
CID 83253763
5-butan-2-yl-3-[1-(dimethylamino)propan-2-yl]-2-ethylimidazolidin-4-one
CID 83260616
3-[1-(diethylamino)propan-2-yl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83249170

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one (CID 83262835) is 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one is CCCC1NC(C(C)CC)C(=O)N1C(C)CS(C)(=O)=O.
What is the InChIKey of 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one?
The InChIKey is DOVQBSZNINASQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-6-8-12-15-13(10(3)7-2)14(17)16(12)11(4)9-20(5,18)19/h10-13,15H,6-9H2,1-5H3.
What are the key properties of 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one?
5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one has a molecular weight of 304.46 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one is sourced from PubChem (CID 83262835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).