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

C9H18N2O3S — CID 83255892

IUPAC3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
SMILESCCCC1NCC(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-3-4-8-10-7-9(12)11(8)5-6-15(2,13)14/h8,10H,3-7H2,1-2H3
InChIKeyMZAPORXGSZCURT-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.41
Rot. Bonds5

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

3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one (PubChem CID 83255892) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
PubChem CID83255892
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
SMILESCCCC1NCC(=O)N1CCS(C)(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-3-4-8-10-7-9(12)11(8)5-6-15(2,13)14/h8,10H,3-7H2,1-2H3
InChIKeyMZAPORXGSZCURT-UHFFFAOYSA-N
XLogP-0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one
CID 83257532
3-methyl-2-propylimidazolidin-4-one
CID 83259789
3-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83242214
3-[2-(2-methoxyethoxy)ethyl]-2-propylimidazolidin-4-one
CID 83255942
3-(2-cyclohexyloxyethyl)-2-propylimidazolidin-4-one
CID 83264060
3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83256534
5-ethyl-5-methyl-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83256448
3-butyl-2-ethylimidazolidin-4-one
CID 83238160
2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256040
3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83247955
5-(2-methylpropyl)-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83256860
3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one
CID 114125447

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one?
The IUPAC name of 3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one (CID 83255892) is 3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one?
The canonical SMILES for 3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one is CCCC1NCC(=O)N1CCS(C)(=O)=O.
What is the InChIKey of 3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one?
The InChIKey is MZAPORXGSZCURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-3-4-8-10-7-9(12)11(8)5-6-15(2,13)14/h8,10H,3-7H2,1-2H3.
What are the key properties of 3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one?
3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one has a molecular weight of 234.32 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one is sourced from PubChem (CID 83255892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).