imino(sulfooxyimino)azanium

H2N3O4S+ — CID 173131438

IUPACimino(sulfooxyimino)azanium
SMILESN=[N+]=NOS(=O)(=O)O
InChIInChI=1S/HN3O4S/c1-2-3-7-8(4,5)6/h1H/p+1
InChIKeyFMUPOGBOCMAXQO-UHFFFAOYSA-O
MW140.10 g/mol
LogP-0.73
Rot. Bonds2

About imino(sulfooxyimino)azanium

imino(sulfooxyimino)azanium (PubChem CID 173131438) has the molecular formula H2N3O4S+ and a molecular weight of 140.10 g/mol. Its IUPAC name is imino(sulfooxyimino)azanium.

Molecular Properties

Compound Nameimino(sulfooxyimino)azanium
PubChem CID173131438
Molecular FormulaH2N3O4S+
Molecular Weight140.10 g/mol
Exact Mass139.98
IUPAC Nameimino(sulfooxyimino)azanium
SMILESN=[N+]=NOS(=O)(=O)O
InChIInChI=1S/HN3O4S/c1-2-3-7-8(4,5)6/h1H/p+1
InChIKeyFMUPOGBOCMAXQO-UHFFFAOYSA-O
XLogP-0.73
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 173431110
CID 173431110
sodium;hydride;nitroso hydrogen sulfate
CID 174425438
nitroso hydrogen sulfate;nitrous acid
CID 159941203
CID 173332753
CID 173332753
silane;sulfo hydrogen sulfate
CID 173332743
bismuthane;oxobismuthane;sulfuric acid
CID 173328810
bismuthane;sulfuric acid
CID 174861750
sulfooxy hydrogen sulfate
CID 24413
CID 20507039
CID 20507039
sulfooxy hydrogen sulfate;hydrobromide
CID 172791848
CID 87370318
CID 87370318
potassium sulfo sulfate
CID 157130711

Frequently Asked Questions

What is the IUPAC name of imino(sulfooxyimino)azanium?
The IUPAC name of imino(sulfooxyimino)azanium (CID 173131438) is imino(sulfooxyimino)azanium.
What is the SMILES notation for imino(sulfooxyimino)azanium?
The canonical SMILES for imino(sulfooxyimino)azanium is N=[N+]=NOS(=O)(=O)O.
What is the InChIKey of imino(sulfooxyimino)azanium?
The InChIKey is FMUPOGBOCMAXQO-UHFFFAOYSA-O. The full InChI is InChI=1S/HN3O4S/c1-2-3-7-8(4,5)6/h1H/p+1.
What are the key properties of imino(sulfooxyimino)azanium?
imino(sulfooxyimino)azanium has a molecular weight of 140.10 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imino(sulfooxyimino)azanium is sourced from PubChem (CID 173131438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).