copper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide

C14H14CuN4S+2 — CID 135401859

IUPACcopper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide
SMILES[Cu+2].[H]/[S+]=C(/[N-]N=Cc1ccccn1)NCc1ccccc1
InChIInChI=1S/C14H14N4S.Cu/c19-14(16-10-12-6-2-1-3-7-12)18-17-11-13-8-4-5-9-15-13;/h1-9,11H,10H2,(H2,15,16,18,19);/q;+2
InChIKeyYCVHSZLNZMLTMM-UHFFFAOYSA-N
MW333.91 g/mol
LogP1.94
Rot. Bonds4

About copper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide

copper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide (PubChem CID 135401859) has the molecular formula C14H14CuN4S+2 and a molecular weight of 333.91 g/mol. Its IUPAC name is copper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide.

Molecular Properties

Compound Namecopper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide
PubChem CID135401859
Molecular FormulaC14H14CuN4S+2
Molecular Weight333.91 g/mol
Exact Mass333.02
IUPAC Namecopper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide
SMILES[Cu+2].[H]/[S+]=C(/[N-]N=Cc1ccccn1)NCc1ccccc1
InChIInChI=1S/C14H14N4S.Cu/c19-14(16-10-12-6-2-1-3-7-12)18-17-11-13-8-4-5-9-15-13;/h1-9,11H,10H2,(H2,15,16,18,19);/q;+2
InChIKeyYCVHSZLNZMLTMM-UHFFFAOYSA-N
XLogP1.94
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.91
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze copper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide with MolForge

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

Launch Full Analysis

Related Compounds

bis([benzylsulfanyl(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide);copper
CID 3344493
[benzylsulfanyl(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide;chlorocopper
CID 3904172
[amino(sulfoniumylidene)methyl]-[(E)-pyridin-2-ylmethylideneamino]azanide;iron;sulfuric acid
CID 16678006
copper [azepan-1-yl(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide
CID 3764126
dichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide
CID 3389171
zinc bis(phenyl-[(Z)-pyridin-2-ylmethylideneamino]azanide)
CID 139168715
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
(E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide
CID 47299986
3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 6138310
manganese(2+);pyridin-2-yl-(pyridin-2-ylmethylideneamino)azanide
CID 3585581
3-[(3-pyridin-2-ylprop-2-enoylamino)methyl]benzoic acid
CID 126802887
copper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide
CID 5235739

Frequently Asked Questions

What is the IUPAC name of copper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide?
The IUPAC name of copper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide (CID 135401859) is copper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide.
What is the SMILES notation for copper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide?
The canonical SMILES for copper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide is [Cu+2].[H]/[S+]=C(/[N-]N=Cc1ccccn1)NCc1ccccc1.
What is the InChIKey of copper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide?
The InChIKey is YCVHSZLNZMLTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S.Cu/c19-14(16-10-12-6-2-1-3-7-12)18-17-11-13-8-4-5-9-15-13;/h1-9,11H,10H2,(H2,15,16,18,19);/q;+2.
What are the key properties of copper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide?
copper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide has a molecular weight of 333.91 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide is sourced from PubChem (CID 135401859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).