3-(disulfanyl)azetidine

C3H7NS2 — CID 126561623

IUPAC3-(disulfanyl)azetidine
SMILESSSC1CNC1
InChIInChI=1S/C3H7NS2/c5-6-3-1-4-2-3/h3-5H,1-2H2
InChIKeyHSSGUHUHLIKPJC-UHFFFAOYSA-N
MW121.23 g/mol
LogP0.54
Rot. Bonds1

About 3-(disulfanyl)azetidine

3-(disulfanyl)azetidine (PubChem CID 126561623) has the molecular formula C3H7NS2 and a molecular weight of 121.23 g/mol. Its IUPAC name is 3-(disulfanyl)azetidine.

Molecular Properties

Compound Name3-(disulfanyl)azetidine
PubChem CID126561623
Molecular FormulaC3H7NS2
Molecular Weight121.23 g/mol
Exact Mass121.00
IUPAC Name3-(disulfanyl)azetidine
SMILESSSC1CNC1
InChIInChI=1S/C3H7NS2/c5-6-3-1-4-2-3/h3-5H,1-2H2
InChIKeyHSSGUHUHLIKPJC-UHFFFAOYSA-N
XLogP0.54
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(disulfanyl)pyrazolidine
CID 19376814
azetidine-3-thiol
CID 10920514
3-(2,2-dimethylpropylsulfanyl)azetidine
CID 115070184
3-(2-methylpropylsulfanyl)azetidine
CID 62784262
3-(cyclopentylmethylsulfanyl)azetidine
CID 63120225
1-(disulfanyl)-4-fluorocyclohexane
CID 87424436
5-methylsulfanyl-3-azabicyclo[5.1.0]octane
CID 170074183
(3R)-3-methylsulfanylpyrrolidine
CID 94401655
3-(piperidin-3-yldisulfanyl)piperidine
CID 152589134
(1S,5S)-6,6-dibromo-3-azabicyclo[3.1.0]hexane
CID 125424367
(3aS,7aS)-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CID 28665047
3-(4-bromophenyl)sulfanylazetidine;hydrochloride
CID 72716411

Frequently Asked Questions

What is the IUPAC name of 3-(disulfanyl)azetidine?
The IUPAC name of 3-(disulfanyl)azetidine (CID 126561623) is 3-(disulfanyl)azetidine.
What is the SMILES notation for 3-(disulfanyl)azetidine?
The canonical SMILES for 3-(disulfanyl)azetidine is SSC1CNC1.
What is the InChIKey of 3-(disulfanyl)azetidine?
The InChIKey is HSSGUHUHLIKPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2/c5-6-3-1-4-2-3/h3-5H,1-2H2.
What are the key properties of 3-(disulfanyl)azetidine?
3-(disulfanyl)azetidine has a molecular weight of 121.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(disulfanyl)azetidine is sourced from PubChem (CID 126561623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).