3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione

C9H17N3O2S — CID 43249481

IUPAC3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCSCCN)C1=O
InChIInChI=1S/C9H17N3O2S/c1-9(2)7(13)12(8(14)11-9)4-6-15-5-3-10/h3-6,10H2,1-2H3,(H,11,14)
InChIKeyKGVGWLKFUDBRHM-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.01
Rot. Bonds5

About 3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 43249481) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID43249481
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCSCCN)C1=O
InChIInChI=1S/C9H17N3O2S/c1-9(2)7(13)12(8(14)11-9)4-6-15-5-3-10/h3-6,10H2,1-2H3,(H,11,14)
InChIKeyKGVGWLKFUDBRHM-UHFFFAOYSA-N
XLogP0.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 43249481) is 3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCSCCN)C1=O.
What is the InChIKey of 3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is KGVGWLKFUDBRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-9(2)7(13)12(8(14)11-9)4-6-15-5-3-10/h3-6,10H2,1-2H3,(H,11,14).
What are the key properties of 3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 231.32 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 43249481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).