diaminoazanium;methyl sulfate

CH9N3O4S — CID 19938823

IUPACdiaminoazanium;methyl sulfate
SMILESCOS(=O)(=O)[O-].N[NH2+]N
InChIInChI=1S/CH4O4S.H5N3/c1-5-6(2,3)4;1-3-2/h1H3,(H,2,3,4);3H,1-2H2
InChIKeyZTWZQQUHYUAWRS-UHFFFAOYSA-N
MW159.17 g/mol
LogP-3.61
Rot. Bonds1

About diaminoazanium;methyl sulfate

diaminoazanium;methyl sulfate (PubChem CID 19938823) has the molecular formula CH9N3O4S and a molecular weight of 159.17 g/mol. Its IUPAC name is diaminoazanium;methyl sulfate.

Molecular Properties

Compound Namediaminoazanium;methyl sulfate
PubChem CID19938823
Molecular FormulaCH9N3O4S
Molecular Weight159.17 g/mol
Exact Mass159.03
IUPAC Namediaminoazanium;methyl sulfate
SMILESCOS(=O)(=O)[O-].N[NH2+]N
InChIInChI=1S/CH4O4S.H5N3/c1-5-6(2,3)4;1-3-2/h1H3,(H,2,3,4);3H,1-2H2
InChIKeyZTWZQQUHYUAWRS-UHFFFAOYSA-N
XLogP-3.61
TPSA135.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 5-3.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

Dimethyl sulfate;hydrazine
CID 18469807
Hydrazine;methyl hydrogen sulfate
CID 87141362
Hydrazine;sulfosulfonyloxymethane
CID 162202449
Methyl hydrogen sulfate;triazane
CID 173018488
Hydrazine;methyl hydrogen sulfate;hydrate
CID 174768364
Dimethyl sulfate;hydrazine;hydrate
CID 175123496
Hydrazine;methyl sulfate
CID 22559770

Frequently Asked Questions

What is the IUPAC name of diaminoazanium;methyl sulfate?
The IUPAC name of diaminoazanium;methyl sulfate (CID 19938823) is diaminoazanium;methyl sulfate.
What is the SMILES notation for diaminoazanium;methyl sulfate?
The canonical SMILES for diaminoazanium;methyl sulfate is COS(=O)(=O)[O-].N[NH2+]N.
What is the InChIKey of diaminoazanium;methyl sulfate?
The InChIKey is ZTWZQQUHYUAWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O4S.H5N3/c1-5-6(2,3)4;1-3-2/h1H3,(H,2,3,4);3H,1-2H2.
What are the key properties of diaminoazanium;methyl sulfate?
diaminoazanium;methyl sulfate has a molecular weight of 159.17 g/mol, XLogP of -3.61, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diaminoazanium;methyl sulfate is sourced from PubChem (CID 19938823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).