5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one

C13H26N2O3S — CID 83256860

IUPAC5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)C(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-5-6-12-14-11(9-10(2)3)13(16)15(12)7-8-19(4,17)18/h10-12,14H,5-9H2,1-4H3
InChIKeySXXKAMMCMCJVBV-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.00
Rot. Bonds7

About 5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one

5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one (PubChem CID 83256860) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
PubChem CID83256860
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)C(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-5-6-12-14-11(9-10(2)3)13(16)15(12)7-8-19(4,17)18/h10-12,14H,5-9H2,1-4H3
InChIKeySXXKAMMCMCJVBV-UHFFFAOYSA-N
XLogP1.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83248374
3-(2-butoxyethyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83253671
5-ethyl-2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83244799
3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83256782
5-methyl-2-(2-methylpropyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83255731
3-(2-cyclopentyloxyethyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83264483
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530
2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one
CID 83245289
5-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 83248880
3-(cyclohexylmethyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83244505
5-(2-methylpropyl)-3-[(4-methylthiophen-3-yl)methyl]-2-propylimidazolidin-4-one
CID 83271256
5-(2-methylpropyl)-2-propyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazolidin-4-one
CID 83271295

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one?
The IUPAC name of 5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one (CID 83256860) is 5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one?
The canonical SMILES for 5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one is CCCC1NC(CC(C)C)C(=O)N1CCS(C)(=O)=O.
What is the InChIKey of 5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one?
The InChIKey is SXXKAMMCMCJVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-5-6-12-14-11(9-10(2)3)13(16)15(12)7-8-19(4,17)18/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one?
5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one has a molecular weight of 290.43 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one is sourced from PubChem (CID 83256860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).