copper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide

C10H14CuN4S+2 — CID 135496473

IUPACcopper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide
SMILES[Cu+2].[H]/[S+]=C(/[N-]N=C(C)c1cccc(C)n1)NC
InChIInChI=1S/C10H14N4S.Cu/c1-7-5-4-6-9(12-7)8(2)13-14-10(15)11-3;/h4-6H,1-3H3,(H2,11,12,14,15);/q;+2
InChIKeyFGNYEFNOLUGHKJ-UHFFFAOYSA-N
MW285.86 g/mol
LogP1.07
Rot. Bonds2

About copper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide

copper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide (PubChem CID 135496473) has the molecular formula C10H14CuN4S+2 and a molecular weight of 285.86 g/mol. Its IUPAC name is copper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide.

Molecular Properties

Compound Namecopper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide
PubChem CID135496473
Molecular FormulaC10H14CuN4S+2
Molecular Weight285.86 g/mol
Exact Mass285.02
IUPAC Namecopper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide
SMILES[Cu+2].[H]/[S+]=C(/[N-]N=C(C)c1cccc(C)n1)NC
InChIInChI=1S/C10H14N4S.Cu/c1-7-5-4-6-9(12-7)8(2)13-14-10(15)11-3;/h4-6H,1-3H3,(H2,11,12,14,15);/q;+2
InChIKeyFGNYEFNOLUGHKJ-UHFFFAOYSA-N
XLogP1.07
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 51.07
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 [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide with MolForge

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Related Compounds

(E)-1-(6-methyl-2-pyridinyl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethanimine
CID 50989515
1-(6-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]ethanimine
CID 59444627
[(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper
CID 135469415
6-methyl-N'-(methylamino)pyridine-2-carboximidamide
CID 14328308
gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide)
CID 3746529
[(tert-butylamino)-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide;dichlorocopper
CID 135431936
[azepan-1-yl(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;nickel;azide
CID 3433907
1-(azetidin-1-yl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethenamine
CID 139424601
N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]azetidine-1-carbothioamide
CID 122463126
N-amino-N',6-dimethylpyridine-2-carboximidamide
CID 61361045
2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde
CID 138745188
copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide
CID 3852051

Frequently Asked Questions

What is the IUPAC name of copper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide?
The IUPAC name of copper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide (CID 135496473) is copper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide.
What is the SMILES notation for copper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide?
The canonical SMILES for copper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide is [Cu+2].[H]/[S+]=C(/[N-]N=C(C)c1cccc(C)n1)NC.
What is the InChIKey of copper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide?
The InChIKey is FGNYEFNOLUGHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S.Cu/c1-7-5-4-6-9(12-7)8(2)13-14-10(15)11-3;/h4-6H,1-3H3,(H2,11,12,14,15);/q;+2.
What are the key properties of copper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide?
copper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide has a molecular weight of 285.86 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide is sourced from PubChem (CID 135496473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).