copper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide

C16H19CuN5S+2 — CID 5235739

IUPACcopper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide
SMILES[Cu+2].[H]/[S+]=C(/[N-]N=Cc1cccc(C)n1)N(C)CCc1ccccn1
InChIInChI=1S/C16H19N5S.Cu/c1-13-6-5-8-15(19-13)12-18-20-16(22)21(2)11-9-14-7-3-4-10-17-14;/h3-8,10,12H,9,11H2,1-2H3,(H,19,20,22);/q;+2
InChIKeyHHUMXZHUUMXYMN-UHFFFAOYSA-N
MW376.98 g/mol
LogP2.03
Rot. Bonds5

About copper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide

copper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide (PubChem CID 5235739) has the molecular formula C16H19CuN5S+2 and a molecular weight of 376.98 g/mol. Its IUPAC name is copper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide.

Molecular Properties

Compound Namecopper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide
PubChem CID5235739
Molecular FormulaC16H19CuN5S+2
Molecular Weight376.98 g/mol
Exact Mass376.06
IUPAC Namecopper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide
SMILES[Cu+2].[H]/[S+]=C(/[N-]N=Cc1cccc(C)n1)N(C)CCc1ccccn1
InChIInChI=1S/C16H19N5S.Cu/c1-13-6-5-8-15(19-13)12-18-20-16(22)21(2)11-9-14-7-3-4-10-17-14;/h3-8,10,12H,9,11H2,1-2H3,(H,19,20,22);/q;+2
InChIKeyHHUMXZHUUMXYMN-UHFFFAOYSA-N
XLogP2.03
TPSA55.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.98
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide with MolForge

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Launch Full Analysis

Related Compounds

methyl(2-pyridin-2-ylethyl)carbamodithioic acid
CID 88510653
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 19046925
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
[(tert-butylamino)-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide;dichlorocopper
CID 135431936
[butylamino(sulfoniumylidene)methyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide;dichlorocopper
CID 135413030
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
copper [azepan-1-yl(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide
CID 3764126
(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine
CID 757307
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
[benzylsulfanyl(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide;chlorocopper
CID 3904172
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158

Frequently Asked Questions

What is the IUPAC name of copper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide?
The IUPAC name of copper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide (CID 5235739) is copper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide.
What is the SMILES notation for copper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide?
The canonical SMILES for copper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide is [Cu+2].[H]/[S+]=C(/[N-]N=Cc1cccc(C)n1)N(C)CCc1ccccn1.
What is the InChIKey of copper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide?
The InChIKey is HHUMXZHUUMXYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S.Cu/c1-13-6-5-8-15(19-13)12-18-20-16(22)21(2)11-9-14-7-3-4-10-17-14;/h3-8,10,12H,9,11H2,1-2H3,(H,19,20,22);/q;+2.
What are the key properties of copper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide?
copper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide has a molecular weight of 376.98 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide is sourced from PubChem (CID 5235739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).