3-fluoro-1-(3-sulfanyloxypropyl)azetidine

C6H12FNOS — CID 138616831

IUPAC3-fluoro-1-(3-sulfanyloxypropyl)azetidine
SMILESFC1CN(CCCOS)C1
InChIInChI=1S/C6H12FNOS/c7-6-4-8(5-6)2-1-3-9-10/h6,10H,1-5H2
InChIKeyDQHAFCHBICUJII-UHFFFAOYSA-N
MW165.23 g/mol
LogP0.89
Rot. Bonds4

About 3-fluoro-1-(3-sulfanyloxypropyl)azetidine

3-fluoro-1-(3-sulfanyloxypropyl)azetidine (PubChem CID 138616831) has the molecular formula C6H12FNOS and a molecular weight of 165.23 g/mol. Its IUPAC name is 3-fluoro-1-(3-sulfanyloxypropyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(3-sulfanyloxypropyl)azetidine
PubChem CID138616831
Molecular FormulaC6H12FNOS
Molecular Weight165.23 g/mol
Exact Mass165.06
IUPAC Name3-fluoro-1-(3-sulfanyloxypropyl)azetidine
SMILESFC1CN(CCCOS)C1
InChIInChI=1S/C6H12FNOS/c7-6-4-8(5-6)2-1-3-9-10/h6,10H,1-5H2
InChIKeyDQHAFCHBICUJII-UHFFFAOYSA-N
XLogP0.89
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-1-(3-sulfanyloxypropyl)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-sulfanyloxypropyl)azetidine?
The IUPAC name of 3-fluoro-1-(3-sulfanyloxypropyl)azetidine (CID 138616831) is 3-fluoro-1-(3-sulfanyloxypropyl)azetidine.
What is the SMILES notation for 3-fluoro-1-(3-sulfanyloxypropyl)azetidine?
The canonical SMILES for 3-fluoro-1-(3-sulfanyloxypropyl)azetidine is FC1CN(CCCOS)C1.
What is the InChIKey of 3-fluoro-1-(3-sulfanyloxypropyl)azetidine?
The InChIKey is DQHAFCHBICUJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNOS/c7-6-4-8(5-6)2-1-3-9-10/h6,10H,1-5H2.
What are the key properties of 3-fluoro-1-(3-sulfanyloxypropyl)azetidine?
3-fluoro-1-(3-sulfanyloxypropyl)azetidine has a molecular weight of 165.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-sulfanyloxypropyl)azetidine is sourced from PubChem (CID 138616831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).