bismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate

C28H40BiN9O3S2+2 — CID 23350968

IUPACbismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate
SMILESO=[N+]([O-])[O-].[Bi+3].[H]/[S+]=C(/[N-]/N=C(/C)c1ccccn1)N1CCC(C)CC1.[H]/[S+]=C(/[N-]/N=C(\C)c1ccccn1)N1CCC(C)CC1
InChIInChI=1S/2C14H20N4S.Bi.NO3/c2*1-11-6-9-18(10-7-11)14(19)17-16-12(2)13-5-3-4-8-15-13;;2-1(3)4/h2*3-5,8,11H,6-7,9-10H2,1-2H3,(H,15,17,19);;/q;;+3;-1
InChIKeyLOOUYDXYEWDOSP-UHFFFAOYSA-N
MW823.80 g/mol
LogP3.94
Rot. Bonds4

About bismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate

bismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate (PubChem CID 23350968) has the molecular formula C28H40BiN9O3S2+2 and a molecular weight of 823.80 g/mol. Its IUPAC name is bismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate.

Molecular Properties

Compound Namebismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate
PubChem CID23350968
Molecular FormulaC28H40BiN9O3S2+2
Molecular Weight823.80 g/mol
Exact Mass823.25
IUPAC Namebismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate
SMILESO=[N+]([O-])[O-].[Bi+3].[H]/[S+]=C(/[N-]/N=C(/C)c1ccccn1)N1CCC(C)CC1.[H]/[S+]=C(/[N-]/N=C(\C)c1ccccn1)N1CCC(C)CC1
InChIInChI=1S/2C14H20N4S.Bi.NO3/c2*1-11-6-9-18(10-7-11)14(19)17-16-12(2)13-5-3-4-8-15-13;;2-1(3)4/h2*3-5,8,11H,6-7,9-10H2,1-2H3,(H,15,17,19);;/q;;+3;-1
InChIKeyLOOUYDXYEWDOSP-UHFFFAOYSA-N
XLogP3.94
TPSA151.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500823.80
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze bismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate with MolForge

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Related Compounds

[azepan-1-yl(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;nickel;azide
CID 3433907
gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide)
CID 3746529
[(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper
CID 135469415
bis([benzylsulfanyl(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide);zinc
CID 5016029
copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide
CID 3852051
[anilino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide;dibromozinc
CID 135502860
4-methyl-N-pyridin-2-ylpiperidine-1-carboxamide
CID 47266968
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030
1-pyridin-2-yl-N-[(1R,2R)-2-(1-pyridin-2-ylethylideneamino)cyclohexyl]ethanimine
CID 46193464
(4-methylpiperidin-1-yl)-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109275060
(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109113370
N-methyl-1-pyridin-2-ylethanimine
CID 12970828

Frequently Asked Questions

What is the IUPAC name of bismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate?
The IUPAC name of 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) is bismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate.
What is the SMILES notation for bismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate?
The canonical SMILES for bismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate is O=[N+]([O-])[O-].[Bi+3].[H]/[S+]=C(/[N-]/N=C(/C)c1ccccn1)N1CCC(C)CC1.[H]/[S+]=C(/[N-]/N=C(\C)c1ccccn1)N1CCC(C)CC1.
What is the InChIKey of bismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate?
The InChIKey is LOOUYDXYEWDOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H20N4S.Bi.NO3/c2*1-11-6-9-18(10-7-11)14(19)17-16-12(2)13-5-3-4-8-15-13;;2-1(3)4/h2*3-5,8,11H,6-7,9-10H2,1-2H3,(H,15,17,19);;/q;;+3;-1.
What are the key properties of bismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate?
bismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate has a molecular weight of 823.80 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(Z)-1-pyridin-2-ylethylideneamino]azanide;[(4-methylpiperidin-1-yl)-sulfoniumylidenemethyl]-[(E)-1-pyridin-2-ylethylideneamino]azanide;nitrate is sourced from PubChem (CID 23350968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).