imino-oxido-sulfoazanium

H2N2O4S — CID 172778493

IUPACimino-oxido-sulfoazanium
SMILES[H]/N=[N+](\[O-])S(=O)(=O)O
InChIInChI=1S/H2N2O4S/c1-2(3)7(4,5)6/h1H,(H,4,5,6)/b2-1+
InChIKeyNXUUOKNNBXWQSF-OWOJBTEDSA-N
MW126.09 g/mol
LogP-0.67
Rot. Bonds1

About imino-oxido-sulfoazanium

imino-oxido-sulfoazanium (PubChem CID 172778493) has the molecular formula H2N2O4S and a molecular weight of 126.09 g/mol. Its IUPAC name is imino-oxido-sulfoazanium.

Molecular Properties

Compound Nameimino-oxido-sulfoazanium
PubChem CID172778493
Molecular FormulaH2N2O4S
Molecular Weight126.09 g/mol
Exact Mass125.97
IUPAC Nameimino-oxido-sulfoazanium
SMILES[H]/N=[N+](\[O-])S(=O)(=O)O
InChIInChI=1S/H2N2O4S/c1-2(3)7(4,5)6/h1H,(H,4,5,6)/b2-1+
InChIKeyNXUUOKNNBXWQSF-OWOJBTEDSA-N
XLogP-0.67
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.09
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of imino-oxido-sulfoazanium?
The IUPAC name of imino-oxido-sulfoazanium (CID 172778493) is imino-oxido-sulfoazanium.
What is the SMILES notation for imino-oxido-sulfoazanium?
The canonical SMILES for imino-oxido-sulfoazanium is [H]/N=[N+](\[O-])S(=O)(=O)O.
What is the InChIKey of imino-oxido-sulfoazanium?
The InChIKey is NXUUOKNNBXWQSF-OWOJBTEDSA-N. The full InChI is InChI=1S/H2N2O4S/c1-2(3)7(4,5)6/h1H,(H,4,5,6)/b2-1+.
What are the key properties of imino-oxido-sulfoazanium?
imino-oxido-sulfoazanium has a molecular weight of 126.09 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-oxido-sulfoazanium is sourced from PubChem (CID 172778493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).