3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione

C13H16ClN3O2S — CID 79527723

IUPAC3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCSc2cc(Cl)ccc2N)C1=O
InChIInChI=1S/C13H16ClN3O2S/c1-13(2)11(18)17(12(19)16-13)5-6-20-10-7-8(14)3-4-9(10)15/h3-4,7H,5-6,15H2,1-2H3,(H,16,19)
InChIKeyJDKOGAXZOVBPHK-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.34
Rot. Bonds4

About 3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 79527723) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID79527723
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCSc2cc(Cl)ccc2N)C1=O
InChIInChI=1S/C13H16ClN3O2S/c1-13(2)11(18)17(12(19)16-13)5-6-20-10-7-8(14)3-4-9(10)15/h3-4,7H,5-6,15H2,1-2H3,(H,16,19)
InChIKeyJDKOGAXZOVBPHK-UHFFFAOYSA-N
XLogP2.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43302894
3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35363250
1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]imidazolidin-2-one
CID 79528744
3-[2-(4-hydroxyphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47298341
(5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione
CID 7181192
(5R,6S)-3-[2-(2,5-dichlorophenyl)sulfanylethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7703177
5,5-dimethyl-3-(2-pyridin-2-ylsulfanylethyl)imidazolidine-2,4-dione
CID 35358202
3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35358040
3-(2-aminoethyl)-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 14008501
3-[2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35358743
4-chloro-2-(3-ethylsulfonylpropylsulfanyl)aniline
CID 79528650
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 79527723) is 3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCSc2cc(Cl)ccc2N)C1=O.
What is the InChIKey of 3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is JDKOGAXZOVBPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-13(2)11(18)17(12(19)16-13)5-6-20-10-7-8(14)3-4-9(10)15/h3-4,7H,5-6,15H2,1-2H3,(H,16,19).
What are the key properties of 3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 313.81 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 79527723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).