5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one

C11H22N2O3S — CID 83247648

IUPAC5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one
SMILESCCCCC1NCN(CCCS(C)(=O)=O)C1=O
InChIInChI=1S/C11H22N2O3S/c1-3-4-6-10-11(14)13(9-12-10)7-5-8-17(2,15)16/h10,12H,3-9H2,1-2H3
InChIKeyOYYOFKQNIDNBDO-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.37
Rot. Bonds7

About 5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one

5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one (PubChem CID 83247648) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one
PubChem CID83247648
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one
SMILESCCCCC1NCN(CCCS(C)(=O)=O)C1=O
InChIInChI=1S/C11H22N2O3S/c1-3-4-6-10-11(14)13(9-12-10)7-5-8-17(2,15)16/h10,12H,3-9H2,1-2H3
InChIKeyOYYOFKQNIDNBDO-UHFFFAOYSA-N
XLogP0.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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 5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one (CID 83247648) is 5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one is CCCCC1NCN(CCCS(C)(=O)=O)C1=O.
What is the InChIKey of 5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
The InChIKey is OYYOFKQNIDNBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-4-6-10-11(14)13(9-12-10)7-5-8-17(2,15)16/h10,12H,3-9H2,1-2H3.
What are the key properties of 5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one has a molecular weight of 262.37 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83247648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).