3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione

C10H19N3O2S — CID 66217405

IUPAC3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(CN)SCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C10H19N3O2S/c1-7(6-11)16-5-4-13-8(14)10(2,3)12-9(13)15/h7H,4-6,11H2,1-3H3,(H,12,15)
InChIKeyFOVPTHDHMGLHER-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.40
Rot. Bonds5

About 3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 66217405) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID66217405
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(CN)SCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C10H19N3O2S/c1-7(6-11)16-5-4-13-8(14)10(2,3)12-9(13)15/h7H,4-6,11H2,1-3H3,(H,12,15)
InChIKeyFOVPTHDHMGLHER-UHFFFAOYSA-N
XLogP0.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 66217405) is 3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC(CN)SCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is FOVPTHDHMGLHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-7(6-11)16-5-4-13-8(14)10(2,3)12-9(13)15/h7H,4-6,11H2,1-3H3,(H,12,15).
What are the key properties of 3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 245.35 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 66217405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).