5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one

C15H30N2O3S — CID 83269097

IUPAC5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
SMILESCCCCC1NC(C(C)C)N(CC(C)(C)S(C)(=O)=O)C1=O
InChIInChI=1S/C15H30N2O3S/c1-7-8-9-12-14(18)17(13(16-12)11(2)3)10-15(4,5)21(6,19)20/h11-13,16H,7-10H2,1-6H3
InChIKeySQCLQMVREQMNIO-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.78
Rot. Bonds7

About 5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one

5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one (PubChem CID 83269097) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
PubChem CID83269097
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
SMILESCCCCC1NC(C(C)C)N(CC(C)(C)S(C)(=O)=O)C1=O
InChIInChI=1S/C15H30N2O3S/c1-7-8-9-12-14(18)17(13(16-12)11(2)3)10-15(4,5)21(6,19)20/h11-13,16H,7-10H2,1-6H3
InChIKeySQCLQMVREQMNIO-UHFFFAOYSA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butyl-2-ethyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one
CID 83258702
5-butyl-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767679
5-butyl-3-(cyclobutylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83244060
3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83256782
5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83253856
5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 83244959
3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83238566
3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 102915982
5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83247899
3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 106053040
5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83264830
5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83239379

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one (CID 83269097) is 5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one is CCCCC1NC(C(C)C)N(CC(C)(C)S(C)(=O)=O)C1=O.
What is the InChIKey of 5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one?
The InChIKey is SQCLQMVREQMNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-7-8-9-12-14(18)17(13(16-12)11(2)3)10-15(4,5)21(6,19)20/h11-13,16H,7-10H2,1-6H3.
What are the key properties of 5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one?
5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one has a molecular weight of 318.48 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83269097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).