bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate

C24H32N6O10S — CID 139664478

IUPACbis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate
SMILESCOc1cc(N2CCOCC2)c(OC)cc1[N+]#N.COc1cc(N2CCOCC2)c(OC)cc1[N+]#N.O=S(=O)([O-])[O-]
InChIInChI=1S/2C12H16N3O3.H2O4S/c2*1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13;1-5(2,3)4/h2*7-8H,3-6H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2
InChIKeyWINYVNHPWMJXPF-UHFFFAOYSA-L
MW596.62 g/mol
LogP2.71
Rot. Bonds6

About bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate

bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate (PubChem CID 139664478) has the molecular formula C24H32N6O10S and a molecular weight of 596.62 g/mol. Its IUPAC name is bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate.

Molecular Properties

Compound Namebis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate
PubChem CID139664478
Molecular FormulaC24H32N6O10S
Molecular Weight596.62 g/mol
Exact Mass596.19
IUPAC Namebis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate
SMILESCOc1cc(N2CCOCC2)c(OC)cc1[N+]#N.COc1cc(N2CCOCC2)c(OC)cc1[N+]#N.O=S(=O)([O-])[O-]
InChIInChI=1S/2C12H16N3O3.H2O4S/c2*1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13;1-5(2,3)4/h2*7-8H,3-6H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2
InChIKeyWINYVNHPWMJXPF-UHFFFAOYSA-L
XLogP2.71
TPSA198.42 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.62
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

bis(5-butan-2-yloxy-2-methoxy-4-morpholin-4-ylbenzenediazonium);sulfate
CID 88818752
zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride
CID 170853886
5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride
CID 159987480
2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium tetrafluoroborate
CID 20841699
4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride
CID 73011068
2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate
CID 71382500
dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane)
CID 157391269
2,5-dibutoxy-4-morpholin-4-ylaniline sulfate
CID 6366686
(E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 170877800
N-(5-methoxy-4-morpholin-4-yl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 172600600
ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate
CID 170885779
2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide
CID 169367962

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate?
The IUPAC name of bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate (CID 139664478) is bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate.
What is the SMILES notation for bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate?
The canonical SMILES for bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate is COc1cc(N2CCOCC2)c(OC)cc1[N+]#N.COc1cc(N2CCOCC2)c(OC)cc1[N+]#N.O=S(=O)([O-])[O-].
What is the InChIKey of bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate?
The InChIKey is WINYVNHPWMJXPF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H16N3O3.H2O4S/c2*1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13;1-5(2,3)4/h2*7-8H,3-6H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2.
What are the key properties of bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate?
bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate has a molecular weight of 596.62 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate is sourced from PubChem (CID 139664478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).