3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one

C13H18N2O3S — CID 15418833

IUPAC3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one
SMILESCCCN1CC(C)N(S(=O)(=O)c2ccccc2)C1=O
InChIInChI=1S/C13H18N2O3S/c1-3-9-14-10-11(2)15(13(14)16)19(17,18)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKeyGJKBNBIBXJZYRK-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.91
Rot. Bonds4

About 3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one

3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one (PubChem CID 15418833) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one
PubChem CID15418833
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one
SMILESCCCN1CC(C)N(S(=O)(=O)c2ccccc2)C1=O
InChIInChI=1S/C13H18N2O3S/c1-3-9-14-10-11(2)15(13(14)16)19(17,18)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKeyGJKBNBIBXJZYRK-UHFFFAOYSA-N
XLogP1.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one (CID 15418833) is 3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one is CCCN1CC(C)N(S(=O)(=O)c2ccccc2)C1=O.
What is the InChIKey of 3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one?
The InChIKey is GJKBNBIBXJZYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-9-14-10-11(2)15(13(14)16)19(17,18)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one?
3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one has a molecular weight of 282.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one is sourced from PubChem (CID 15418833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).