amino(diaminomethylidene)azanium sulfate

CH7N4O4S- — CID 162367805

IUPACamino(diaminomethylidene)azanium sulfate
SMILESN[NH+]=C(N)N.O=S(=O)([O-])[O-]
InChIInChI=1S/CH6N4.H2O4S/c2-1(3)5-4;1-5(2,3)4/h4H2,(H4,2,3,5);(H2,1,2,3,4)/p-1
InChIKeyXLONNWGCEFSFTN-UHFFFAOYSA-M
MW171.16 g/mol
LogP-5.12
Rot. Bonds

About amino(diaminomethylidene)azanium sulfate

amino(diaminomethylidene)azanium sulfate (PubChem CID 162367805) has the molecular formula CH7N4O4S- and a molecular weight of 171.16 g/mol. Its IUPAC name is amino(diaminomethylidene)azanium sulfate.

Molecular Properties

Compound Nameamino(diaminomethylidene)azanium sulfate
PubChem CID162367805
Molecular FormulaCH7N4O4S-
Molecular Weight171.16 g/mol
Exact Mass171.02
IUPAC Nameamino(diaminomethylidene)azanium sulfate
SMILESN[NH+]=C(N)N.O=S(=O)([O-])[O-]
InChIInChI=1S/CH6N4.H2O4S/c2-1(3)5-4;1-5(2,3)4/h4H2,(H4,2,3,5);(H2,1,2,3,4)/p-1
InChIKeyXLONNWGCEFSFTN-UHFFFAOYSA-M
XLogP-5.12
TPSA172.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-5.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino(diaminomethylidene)azanium sulfate?
The IUPAC name of amino(diaminomethylidene)azanium sulfate (CID 162367805) is amino(diaminomethylidene)azanium sulfate.
What is the SMILES notation for amino(diaminomethylidene)azanium sulfate?
The canonical SMILES for amino(diaminomethylidene)azanium sulfate is N[NH+]=C(N)N.O=S(=O)([O-])[O-].
What is the InChIKey of amino(diaminomethylidene)azanium sulfate?
The InChIKey is XLONNWGCEFSFTN-UHFFFAOYSA-M. The full InChI is InChI=1S/CH6N4.H2O4S/c2-1(3)5-4;1-5(2,3)4/h4H2,(H4,2,3,5);(H2,1,2,3,4)/p-1.
What are the key properties of amino(diaminomethylidene)azanium sulfate?
amino(diaminomethylidene)azanium sulfate has a molecular weight of 171.16 g/mol, XLogP of -5.12, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino(diaminomethylidene)azanium sulfate is sourced from PubChem (CID 162367805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).