7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine

C14H20N4S — CID 136703329

IUPAC7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCCC2(CS/C(=N\Cc3cccnn3)N2)C1
InChIInChI=1S/C14H20N4S/c1-11-4-2-6-14(8-11)10-19-13(17-14)15-9-12-5-3-7-16-18-12/h3,5,7,11H,2,4,6,8-10H2,1H3,(H,15,17)
InChIKeyGCEZWJXKPXJGCP-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.62
Rot. Bonds2

About 7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine

7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136703329) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound Name7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136703329
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCCC2(CS/C(=N\Cc3cccnn3)N2)C1
InChIInChI=1S/C14H20N4S/c1-11-4-2-6-14(8-11)10-19-13(17-14)15-9-12-5-3-7-16-18-12/h3,5,7,11H,2,4,6,8-10H2,1H3,(H,15,17)
InChIKeyGCEZWJXKPXJGCP-UHFFFAOYSA-N
XLogP2.62
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine 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 7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of 7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136703329) is 7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for 7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for 7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine is CC1CCCC2(CS/C(=N\Cc3cccnn3)N2)C1.
What is the InChIKey of 7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is GCEZWJXKPXJGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-11-4-2-6-14(8-11)10-19-13(17-14)15-9-12-5-3-7-16-18-12/h3,5,7,11H,2,4,6,8-10H2,1H3,(H,15,17).
What are the key properties of 7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 276.41 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136703329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).