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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Related Compounds

(4-(Phenylsulfonyl)piperazin-1-yl)(pyrrolidin-1-yl)methanone
CID 701243
4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
CID 715059
N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2985919
1-[5-Methyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-propan-1-one
CID 647061
1-[5-Methyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-ethanone
CID 3157921
N,N-diethyl-4-(phenylsulfonyl)piperazine-1-carboxamide
CID 2928233
[5-Methyl-3-(phenylsulfonyl)imidazolidin-1-yl](morpholin-4-yl)methanone
CID 6498818
3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide
CID 6498839
N,N-dimethyl-3-(phenylsulfonyl)-2-(propan-2-yl)imidazolidine-1-carboxamide
CID 6498843
2-[4-(Benzenesulfonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 16318961
N-[(4E)-1,3-dimethyl-2-oxoimidazolidin-4-ylidene]benzenesulfonamide
CID 9615753
1-{2-Oxo-2-[3-(phenylsulfonyl)imidazolidin-1-yl]ethyl}piperidine
CID 747982

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).