1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one

C14H21N3O3S — CID 106724738

IUPAC1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one
SMILESCCCS(=O)(=O)CCN1CCN(c2ccccc2N)C1=O
InChIInChI=1S/C14H21N3O3S/c1-2-10-21(19,20)11-9-16-7-8-17(14(16)18)13-6-4-3-5-12(13)15/h3-6H,2,7-11,15H2,1H3
InChIKeySLDGWQOIODPMTD-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.34
Rot. Bonds6

About 1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one

1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one (PubChem CID 106724738) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one
PubChem CID106724738
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one
SMILESCCCS(=O)(=O)CCN1CCN(c2ccccc2N)C1=O
InChIInChI=1S/C14H21N3O3S/c1-2-10-21(19,20)11-9-16-7-8-17(14(16)18)13-6-4-3-5-12(13)15/h3-6H,2,7-11,15H2,1H3
InChIKeySLDGWQOIODPMTD-UHFFFAOYSA-N
XLogP1.34
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-3-propylimidazolidin-2-one
CID 115512827
1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine
CID 106725995
1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one
CID 113326184
1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one
CID 115512876
1-(2-aminophenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-2-one
CID 115513903
1-(2-aminophenyl)-3-[2-(2-hydroxyethoxy)ethyl]imidazolidin-2-one
CID 115512904
1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one
CID 115512912
1-(2-propylsulfonylethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 103815443
1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 115512911
1-(2-aminophenyl)-3-(2,2,2-trifluoroethoxymethyl)imidazolidin-2-one
CID 106704854
7-amino-2-(2-propylsulfonylethyl)-3,4-dihydroisoquinolin-1-one
CID 106724731
1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine
CID 114456285

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one?
The IUPAC name of 1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one (CID 106724738) is 1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one is CCCS(=O)(=O)CCN1CCN(c2ccccc2N)C1=O.
What is the InChIKey of 1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one?
The InChIKey is SLDGWQOIODPMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-10-21(19,20)11-9-16-7-8-17(14(16)18)13-6-4-3-5-12(13)15/h3-6H,2,7-11,15H2,1H3.
What are the key properties of 1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one?
1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one has a molecular weight of 311.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one is sourced from PubChem (CID 106724738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).