[(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper

C13H18Cl2CuN4S — CID 135469415

IUPAC[(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper
SMILESCl[Cu]Cl.[H]/[S+]=C(/[N-]N=C(C)c1ccccn1)NC1CCCC1
InChIInChI=1S/C13H18N4S.2ClH.Cu/c1-10(12-8-4-5-9-14-12)16-17-13(18)15-11-6-2-3-7-11;;;/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,14,15,17,18);2*1H;/q;;;+2/p-2
InChIKeyNPMKAVIFBDVDFZ-UHFFFAOYSA-L
MW396.83 g/mol
LogP3.45
Rot. Bonds3

About [(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper

[(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper (PubChem CID 135469415) has the molecular formula C13H18Cl2CuN4S and a molecular weight of 396.83 g/mol. Its IUPAC name is [(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper.

Molecular Properties

Compound Name[(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper
PubChem CID135469415
Molecular FormulaC13H18Cl2CuN4S
Molecular Weight396.83 g/mol
Exact Mass394.99
IUPAC Name[(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper
SMILESCl[Cu]Cl.[H]/[S+]=C(/[N-]N=C(C)c1ccccn1)NC1CCCC1
InChIInChI=1S/C13H18N4S.2ClH.Cu/c1-10(12-8-4-5-9-14-12)16-17-13(18)15-11-6-2-3-7-11;;;/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,14,15,17,18);2*1H;/q;;;+2/p-2
InChIKeyNPMKAVIFBDVDFZ-UHFFFAOYSA-L
XLogP3.45
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 53.45
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'}

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Launch Full Analysis

Related Compounds

[anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc
CID 135502860
gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide)
CID 3746529
[azepan-1-yl(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;nickel;azide
CID 3433907
bis([benzylsulfanyl(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide);zinc
CID 5016029
bismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate
CID 23350968
1-pyridin-2-yl-N-[(1R,2R)-2-(1-pyridin-2-ylethylideneamino)cyclohexyl]ethanimine
CID 46193464
copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide
CID 3852051
N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 3108542
dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide
CID 3565596
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
copper [methylamino(sulfoniumylidene)methyl]-[1-(6-methyl-2-pyridinyl)ethylideneamino]azanide
CID 135496473
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709

Frequently Asked Questions

What is the IUPAC name of [(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper?
The IUPAC name of [(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper (CID 135469415) is [(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper.
What is the SMILES notation for [(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper?
The canonical SMILES for [(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper is Cl[Cu]Cl.[H]/[S+]=C(/[N-]N=C(C)c1ccccn1)NC1CCCC1.
What is the InChIKey of [(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper?
The InChIKey is NPMKAVIFBDVDFZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H18N4S.2ClH.Cu/c1-10(12-8-4-5-9-14-12)16-17-13(18)15-11-6-2-3-7-11;;;/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,14,15,17,18);2*1H;/q;;;+2/p-2.
What are the key properties of [(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper?
[(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper has a molecular weight of 396.83 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper is sourced from PubChem (CID 135469415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).