3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one

C11H22N2O3S — CID 114112490

IUPAC3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(CCS(=O)(=O)CC)C1=O
InChIInChI=1S/C11H22N2O3S/c1-4-6-10-11(14)13(9(3)12-10)7-8-17(15,16)5-2/h9-10,12H,4-8H2,1-3H3
InChIKeyXZXOWVYBMFFAEO-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.37
Rot. Bonds6

About 3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one

3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one (PubChem CID 114112490) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one
PubChem CID114112490
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(CCS(=O)(=O)CC)C1=O
InChIInChI=1S/C11H22N2O3S/c1-4-6-10-11(14)13(9(3)12-10)7-8-17(15,16)5-2/h9-10,12H,4-8H2,1-3H3
InChIKeyXZXOWVYBMFFAEO-UHFFFAOYSA-N
XLogP0.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one?
The IUPAC name of 3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one (CID 114112490) is 3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one is CCCC1NC(C)N(CCS(=O)(=O)CC)C1=O.
What is the InChIKey of 3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one?
The InChIKey is XZXOWVYBMFFAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-4-6-10-11(14)13(9(3)12-10)7-8-17(15,16)5-2/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one?
3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one has a molecular weight of 262.37 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one is sourced from PubChem (CID 114112490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).