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

C9H15N3O2S — CID 66289905

IUPAC3-[2-(azetidin-3-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSCC1CNC1
InChIInChI=1S/C9H15N3O2S/c13-8-5-11-9(14)12(8)1-2-15-6-7-3-10-4-7/h7,10H,1-6H2,(H,11,14)
InChIKeyMFUWZHNBDXFLIE-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.51
Rot. Bonds5

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

3-[2-(azetidin-3-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione (PubChem CID 66289905) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-[2-(azetidin-3-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(azetidin-3-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione
PubChem CID66289905
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name3-[2-(azetidin-3-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSCC1CNC1
InChIInChI=1S/C9H15N3O2S/c13-8-5-11-9(14)12(8)1-2-15-6-7-3-10-4-7/h7,10H,1-6H2,(H,11,14)
InChIKeyMFUWZHNBDXFLIE-UHFFFAOYSA-N
XLogP-0.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.51
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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Related Compounds

N-[2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]ethyl]acetamide
CID 21348889
N-[2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide
CID 59877736
N-[2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]ethyl]acetamide
CID 59877738
(5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione
CID 69117537
1-(3-Methylsulfanylpropyl)imidazolidine-2,4-dione
CID 79777661
3-[2-(2-Aminoethylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43249481
3-[2-(2-Aminoethylsulfanyl)ethyl]imidazolidine-2,4-dione
CID 43249489
5,5-Dimethyl-3-[2-(2-methylpropylsulfanyl)ethyl]imidazolidine-2,4-dione
CID 53519216
1-(2-Methyl-3-methylsulfanylpropyl)imidazolidine-2,4,5-trione
CID 63958046
3-[2-(2-Aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione
CID 66216983
3-[2-(3-Aminopropylsulfanyl)ethyl]imidazolidine-2,4-dione
CID 66217351
3-[2-(1-Aminopropan-2-ylsulfanyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 66217405

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-3-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(azetidin-3-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione (CID 66289905) is 3-[2-(azetidin-3-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(azetidin-3-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(azetidin-3-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCSCC1CNC1.
What is the InChIKey of 3-[2-(azetidin-3-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is MFUWZHNBDXFLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c13-8-5-11-9(14)12(8)1-2-15-6-7-3-10-4-7/h7,10H,1-6H2,(H,11,14).
What are the key properties of 3-[2-(azetidin-3-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione?
3-[2-(azetidin-3-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 229.30 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-3-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 66289905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).