1-[2-(disulfanyloxy)ethyl]azetidine

C5H11NOS2 — CID 146599908

IUPAC1-[2-(disulfanyloxy)ethyl]azetidine
SMILESSSOCCN1CCC1
InChIInChI=1S/C5H11NOS2/c8-9-7-5-4-6-2-1-3-6/h8H,1-5H2
InChIKeyJNELHQKFGSTUAR-UHFFFAOYSA-N
MW165.28 g/mol
LogP1.20
Rot. Bonds4

About 1-[2-(disulfanyloxy)ethyl]azetidine

1-[2-(disulfanyloxy)ethyl]azetidine (PubChem CID 146599908) has the molecular formula C5H11NOS2 and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-[2-(disulfanyloxy)ethyl]azetidine.

Molecular Properties

Compound Name1-[2-(disulfanyloxy)ethyl]azetidine
PubChem CID146599908
Molecular FormulaC5H11NOS2
Molecular Weight165.28 g/mol
Exact Mass165.03
IUPAC Name1-[2-(disulfanyloxy)ethyl]azetidine
SMILESSSOCCN1CCC1
InChIInChI=1S/C5H11NOS2/c8-9-7-5-4-6-2-1-3-6/h8H,1-5H2
InChIKeyJNELHQKFGSTUAR-UHFFFAOYSA-N
XLogP1.20
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(disulfanyloxy)ethyl]azetidine?
The IUPAC name of 1-[2-(disulfanyloxy)ethyl]azetidine (CID 146599908) is 1-[2-(disulfanyloxy)ethyl]azetidine.
What is the SMILES notation for 1-[2-(disulfanyloxy)ethyl]azetidine?
The canonical SMILES for 1-[2-(disulfanyloxy)ethyl]azetidine is SSOCCN1CCC1.
What is the InChIKey of 1-[2-(disulfanyloxy)ethyl]azetidine?
The InChIKey is JNELHQKFGSTUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS2/c8-9-7-5-4-6-2-1-3-6/h8H,1-5H2.
What are the key properties of 1-[2-(disulfanyloxy)ethyl]azetidine?
1-[2-(disulfanyloxy)ethyl]azetidine has a molecular weight of 165.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(disulfanyloxy)ethyl]azetidine is sourced from PubChem (CID 146599908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).