copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide

C14H22CuN4S+2 — CID 3852051

IUPACcopper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide
SMILES[Cu+2].[H]/[S+]=C(/[N-]N=C(C)c1ccccn1)N(CCC)CCC
InChIInChI=1S/C14H22N4S.Cu/c1-4-10-18(11-5-2)14(19)17-16-12(3)13-8-6-7-9-15-13;/h6-9H,4-5,10-11H2,1-3H3,(H,15,17,19);/q;+2
InChIKeyZLTAOLQJQXNVSC-UHFFFAOYSA-N
MW341.97 g/mol
LogP2.67
Rot. Bonds6

About copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide

copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide (PubChem CID 3852051) has the molecular formula C14H22CuN4S+2 and a molecular weight of 341.97 g/mol. Its IUPAC name is copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide.

Molecular Properties

Compound Namecopper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide
PubChem CID3852051
Molecular FormulaC14H22CuN4S+2
Molecular Weight341.97 g/mol
Exact Mass341.09
IUPAC Namecopper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide
SMILES[Cu+2].[H]/[S+]=C(/[N-]N=C(C)c1ccccn1)N(CCC)CCC
InChIInChI=1S/C14H22N4S.Cu/c1-4-10-18(11-5-2)14(19)17-16-12(3)13-8-6-7-9-15-13;/h6-9H,4-5,10-11H2,1-3H3,(H,15,17,19);/q;+2
InChIKeyZLTAOLQJQXNVSC-UHFFFAOYSA-N
XLogP2.67
TPSA42.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.97
LogP ≤ 52.67
H-Bond Donors ≤ 50
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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Related Compounds

gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide)
CID 3746529
bis([benzylsulfanyl(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide);zinc
CID 5016029
[anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc
CID 135502860
[azepan-1-yl(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;nickel;azide
CID 3433907
dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide
CID 3565596
[(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper
CID 135469415
copper [N,N-diethyl-N'-(1-pyridin-2-ylethylideneamino)carbamimidoyl]sulfanium
CID 50909621
N-butyl-1-pyridin-2-ylethanimine
CID 583773
dichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide
CID 3389171
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
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
bis([N,N-diethyl-N'-(1-pyridin-2-ylethylideneamino)carbamimidoyl]sulfanium);nickel(2+)
CID 5036858

Frequently Asked Questions

What is the IUPAC name of copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide?
The IUPAC name of copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide (CID 3852051) is copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide.
What is the SMILES notation for copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide?
The canonical SMILES for copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide is [Cu+2].[H]/[S+]=C(/[N-]N=C(C)c1ccccn1)N(CCC)CCC.
What is the InChIKey of copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide?
The InChIKey is ZLTAOLQJQXNVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S.Cu/c1-4-10-18(11-5-2)14(19)17-16-12(3)13-8-6-7-9-15-13;/h6-9H,4-5,10-11H2,1-3H3,(H,15,17,19);/q;+2.
What are the key properties of copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide?
copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide has a molecular weight of 341.97 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide is sourced from PubChem (CID 3852051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).