3-[2-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione

C8H15N3O2S — CID 66217351

IUPAC3-[2-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione
SMILESNCCCSCCN1C(=O)CNC1=O
InChIInChI=1S/C8H15N3O2S/c9-2-1-4-14-5-3-11-7(12)6-10-8(11)13/h1-6,9H2,(H,10,13)
InChIKeyMSPKLQLGXGYTQO-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.38
Rot. Bonds6

About 3-[2-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione

3-[2-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione (PubChem CID 66217351) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-[2-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione
PubChem CID66217351
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name3-[2-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione
SMILESNCCCSCCN1C(=O)CNC1=O
InChIInChI=1S/C8H15N3O2S/c9-2-1-4-14-5-3-11-7(12)6-10-8(11)13/h1-6,9H2,(H,10,13)
InChIKeyMSPKLQLGXGYTQO-UHFFFAOYSA-N
XLogP-0.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.38
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-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione (CID 66217351) is 3-[2-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione is NCCCSCCN1C(=O)CNC1=O.
What is the InChIKey of 3-[2-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is MSPKLQLGXGYTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c9-2-1-4-14-5-3-11-7(12)6-10-8(11)13/h1-6,9H2,(H,10,13).
What are the key properties of 3-[2-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione?
3-[2-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 217.29 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 66217351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).