(E)-hydroxyimino-oxido-sulfoazanium

H2N2O5S — CID 135538841

IUPAC(E)-hydroxyimino-oxido-sulfoazanium
SMILESO=S(=O)(O)/[N+]([O-])=N/O
InChIInChI=1S/H2N2O5S/c3-1-2(4)8(5,6)7/h3H,(H,5,6,7)/b2-1+
InChIKeyMVJUVYOAWZQQTL-OWOJBTEDSA-N
MW142.09 g/mol
LogP-0.86
Rot. Bonds1

About (E)-hydroxyimino-oxido-sulfoazanium

(E)-hydroxyimino-oxido-sulfoazanium (PubChem CID 135538841) has the molecular formula H2N2O5S and a molecular weight of 142.09 g/mol. Its IUPAC name is (E)-hydroxyimino-oxido-sulfoazanium.

Molecular Properties

Compound Name(E)-hydroxyimino-oxido-sulfoazanium
PubChem CID135538841
Molecular FormulaH2N2O5S
Molecular Weight142.09 g/mol
Exact Mass141.97
IUPAC Name(E)-hydroxyimino-oxido-sulfoazanium
SMILESO=S(=O)(O)/[N+]([O-])=N/O
InChIInChI=1S/H2N2O5S/c3-1-2(4)8(5,6)7/h3H,(H,5,6,7)/b2-1+
InChIKeyMVJUVYOAWZQQTL-OWOJBTEDSA-N
XLogP-0.86
TPSA113.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.09
LogP ≤ 5-0.86
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 (E)-hydroxyimino-oxido-sulfoazanium?
The IUPAC name of (E)-hydroxyimino-oxido-sulfoazanium (CID 135538841) is (E)-hydroxyimino-oxido-sulfoazanium.
What is the SMILES notation for (E)-hydroxyimino-oxido-sulfoazanium?
The canonical SMILES for (E)-hydroxyimino-oxido-sulfoazanium is O=S(=O)(O)/[N+]([O-])=N/O.
What is the InChIKey of (E)-hydroxyimino-oxido-sulfoazanium?
The InChIKey is MVJUVYOAWZQQTL-OWOJBTEDSA-N. The full InChI is InChI=1S/H2N2O5S/c3-1-2(4)8(5,6)7/h3H,(H,5,6,7)/b2-1+.
What are the key properties of (E)-hydroxyimino-oxido-sulfoazanium?
(E)-hydroxyimino-oxido-sulfoazanium has a molecular weight of 142.09 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hydroxyimino-oxido-sulfoazanium is sourced from PubChem (CID 135538841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).