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

C14H19N3O2S — CID 43302894

IUPAC3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1cc(N)ccc1SCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H19N3O2S/c1-9-8-10(15)4-5-11(9)20-7-6-17-12(18)14(2,3)16-13(17)19/h4-5,8H,6-7,15H2,1-3H3,(H,16,19)
InChIKeyOLBOMWGPFIRUBO-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.00
Rot. Bonds4

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

3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 43302894) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID43302894
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1cc(N)ccc1SCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H19N3O2S/c1-9-8-10(15)4-5-11(9)20-7-6-17-12(18)14(2,3)16-13(17)19/h4-5,8H,6-7,15H2,1-3H3,(H,16,19)
InChIKeyOLBOMWGPFIRUBO-UHFFFAOYSA-N
XLogP2.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 43302894) is 3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1cc(N)ccc1SCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is OLBOMWGPFIRUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-8-10(15)4-5-11(9)20-7-6-17-12(18)14(2,3)16-13(17)19/h4-5,8H,6-7,15H2,1-3H3,(H,16,19).
What are the key properties of 3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 293.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 43302894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).