5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one

C11H22N2O3S — CID 83248371

IUPAC5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one
SMILESCCC(C)C1NCN(CCCS(C)(=O)=O)C1=O
InChIInChI=1S/C11H22N2O3S/c1-4-9(2)10-11(14)13(8-12-10)6-5-7-17(3,15)16/h9-10,12H,4-8H2,1-3H3
InChIKeyOHXAOWHZBKMJJO-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.23
Rot. Bonds6

About 5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one

5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one (PubChem CID 83248371) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one
PubChem CID83248371
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one
SMILESCCC(C)C1NCN(CCCS(C)(=O)=O)C1=O
InChIInChI=1S/C11H22N2O3S/c1-4-9(2)10-11(14)13(8-12-10)6-5-7-17(3,15)16/h9-10,12H,4-8H2,1-3H3
InChIKeyOHXAOWHZBKMJJO-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one (CID 83248371) is 5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one is CCC(C)C1NCN(CCCS(C)(=O)=O)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
The InChIKey is OHXAOWHZBKMJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-4-9(2)10-11(14)13(8-12-10)6-5-7-17(3,15)16/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one?
5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one has a molecular weight of 262.37 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(3-methylsulfonylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83248371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).