zinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate

C15H27Cl2N3O9S2Zn — CID 139133220

IUPACzinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate
SMILESCN(C)C=O.CSCCN(CCSC)Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2]
InChIInChI=1S/C12H20N2S2.C3H7NO.2ClHO4.Zn/c1-15-9-7-14(8-10-16-2)11-12-5-3-4-6-13-12;1-4(2)3-5;2*2-1(3,4)5;/h3-6H,7-11H2,1-2H3;3H,1-2H3;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyZPBKVFUAWOBRNS-UHFFFAOYSA-L
MW593.82 g/mol
LogP-7.20
Rot. Bonds9

About zinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate

zinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate (PubChem CID 139133220) has the molecular formula C15H27Cl2N3O9S2Zn and a molecular weight of 593.82 g/mol. Its IUPAC name is zinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate.

Molecular Properties

Compound Namezinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate
PubChem CID139133220
Molecular FormulaC15H27Cl2N3O9S2Zn
Molecular Weight593.82 g/mol
Exact Mass590.99
IUPAC Namezinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate
SMILESCN(C)C=O.CSCCN(CCSC)Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2]
InChIInChI=1S/C12H20N2S2.C3H7NO.2ClHO4.Zn/c1-15-9-7-14(8-10-16-2)11-12-5-3-4-6-13-12;1-4(2)3-5;2*2-1(3,4)5;/h3-6H,7-11H2,1-2H3;3H,1-2H3;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyZPBKVFUAWOBRNS-UHFFFAOYSA-L
XLogP-7.20
TPSA220.92 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.82
LogP ≤ 5-7.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze zinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate with MolForge

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Related Compounds

2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol
CID 102450368
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate
CID 139055995
hexacopper;bis(N,N-dimethylformamide);ethoxyethane;bis(4-methyl-2-[[[6-[[(5-methyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrahydroxide;tetraperchlorate
CID 139199469
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
2-[[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15845106
2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 140747992
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
4-chloro-2-[[2-ethylsulfanylethyl(pyridin-2-ylmethyl)amino]methyl]phenol
CID 102049736
2-[[2-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 102193195

Frequently Asked Questions

What is the IUPAC name of zinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate?
The IUPAC name of zinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate (CID 139133220) is zinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate.
What is the SMILES notation for zinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate?
The canonical SMILES for zinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate is CN(C)C=O.CSCCN(CCSC)Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].
What is the InChIKey of zinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate?
The InChIKey is ZPBKVFUAWOBRNS-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H20N2S2.C3H7NO.2ClHO4.Zn/c1-15-9-7-14(8-10-16-2)11-12-5-3-4-6-13-12;1-4(2)3-5;2*2-1(3,4)5;/h3-6H,7-11H2,1-2H3;3H,1-2H3;2*(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of zinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate?
zinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate has a molecular weight of 593.82 g/mol, XLogP of -7.20, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;N,N-dimethylformamide;2-methylsulfanyl-N-(2-methylsulfanylethyl)-N-(pyridin-2-ylmethyl)ethanamine;diperchlorate is sourced from PubChem (CID 139133220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).