[(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite

C7H12IN3S — CID 164574173

IUPAC[(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite
SMILESISN/N=C/C1CC2(CNC2)C1
InChIInChI=1S/C7H12IN3S/c8-12-11-10-3-6-1-7(2-6)4-9-5-7/h3,6,9,11H,1-2,4-5H2/b10-3+
InChIKeyFUAFLVUDYHNSKZ-XCVCLJGOSA-N
MW297.17 g/mol
LogP1.56
Rot. Bonds3

About [(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite

[(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite (PubChem CID 164574173) has the molecular formula C7H12IN3S and a molecular weight of 297.17 g/mol. Its IUPAC name is [(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite.

Molecular Properties

Compound Name[(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite
PubChem CID164574173
Molecular FormulaC7H12IN3S
Molecular Weight297.17 g/mol
Exact Mass296.98
IUPAC Name[(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite
SMILESISN/N=C/C1CC2(CNC2)C1
InChIInChI=1S/C7H12IN3S/c8-12-11-10-3-6-1-7(2-6)4-9-5-7/h3,6,9,11H,1-2,4-5H2/b10-3+
InChIKeyFUAFLVUDYHNSKZ-XCVCLJGOSA-N
XLogP1.56
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite with MolForge

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Related Compounds

6-chloro-2-azaspiro[3.3]heptane;hydrochloride
CID 146050239
(6S)-2-azaspiro[3.4]octan-6-ol
CID 139512548
(Z)-1-(2-azaspiro[3.3]heptan-6-yl)-N-[(Z)-ethylideneamino]ethanimine
CID 169105526
3-azatricyclo[3.1.1.11,5]octane
CID 105426981
N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide
CID 176702448
N-[(2,2,6,6-tetramethylpiperidin-4-yl)methylidene]hydroxylamine
CID 175196118
8-azadispiro[3.1.36.14]decan-2-ol
CID 155970948
(6R)-6-tert-butyl-2-azaspiro[3.4]octane
CID 171594496
ethane;6-ethoxy-2-azaspiro[3.3]heptane
CID 170737877
1-[(3-hydroxyspiro[5.5]undecan-9-yl)methylideneamino]guanidine;hydrochloride
CID 176525277
2-azaspiro[3.3]heptane
CID 20521856
ethane;7-(2-methylpropyl)-2-azaspiro[3.5]nonane
CID 177021220

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite?
The IUPAC name of [(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite (CID 164574173) is [(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite.
What is the SMILES notation for [(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite?
The canonical SMILES for [(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite is ISN/N=C/C1CC2(CNC2)C1.
What is the InChIKey of [(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite?
The InChIKey is FUAFLVUDYHNSKZ-XCVCLJGOSA-N. The full InChI is InChI=1S/C7H12IN3S/c8-12-11-10-3-6-1-7(2-6)4-9-5-7/h3,6,9,11H,1-2,4-5H2/b10-3+.
What are the key properties of [(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite?
[(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite has a molecular weight of 297.17 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-(2-azaspiro[3.3]heptan-6-ylmethylidene)hydrazinyl] thiohypoiodite is sourced from PubChem (CID 164574173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).