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

C14H28N2O3S — CID 83264271

IUPAC5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one
SMILESCCC(C)C1NC(C(C)C)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C14H28N2O3S/c1-7-10(4)12-14(17)16(13(15-12)9(2)3)11(5)8-20(6,18)19/h9-13,15H,7-8H2,1-6H3
InChIKeyWZHAIHFQPUCYKS-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.25
Rot. Bonds6

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

5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one (PubChem CID 83264271) 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-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one
PubChem CID83264271
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one
SMILESCCC(C)C1NC(C(C)C)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C14H28N2O3S/c1-7-10(4)12-14(17)16(13(15-12)9(2)3)11(5)8-20(6,18)19/h9-13,15H,7-8H2,1-6H3
InChIKeyWZHAIHFQPUCYKS-UHFFFAOYSA-N
XLogP1.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one
CID 83262835
5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83264562
3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83264436
5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83252000
3-pentan-2-yl-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83238814
5-butan-2-yl-3-(1-methoxypentan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83262847
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-propan-2-ylimidazolidin-4-one
CID 83259293
5-butan-2-yl-3-(2-methoxy-2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 104767773
5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83264729
3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one
CID 113478439
3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83263977
5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83257737

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one (CID 83264271) is 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one is CCC(C)C1NC(C(C)C)N(C(C)CS(C)(=O)=O)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one?
The InChIKey is WZHAIHFQPUCYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-7-10(4)12-14(17)16(13(15-12)9(2)3)11(5)8-20(6,18)19/h9-13,15H,7-8H2,1-6H3.
What are the key properties of 5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one?
5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one has a molecular weight of 304.46 g/mol, XLogP of 1.25, 6 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-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83264271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).