(hydroxyamino)sulfamic acid

H4N2O4S — CID 154121918

IUPAC(hydroxyamino)sulfamic acid
SMILESO=S(=O)(O)NNO
InChIInChI=1S/H4N2O4S/c3-1-2-7(4,5)6/h1-3H,(H,4,5,6)
InChIKeyNXASZRRCJNYWHF-UHFFFAOYSA-N
MW128.11 g/mol
LogP-1.73
Rot. Bonds2

About (hydroxyamino)sulfamic acid

(hydroxyamino)sulfamic acid (PubChem CID 154121918) has the molecular formula H4N2O4S and a molecular weight of 128.11 g/mol. Its IUPAC name is (hydroxyamino)sulfamic acid.

Molecular Properties

Compound Name(hydroxyamino)sulfamic acid
PubChem CID154121918
Molecular FormulaH4N2O4S
Molecular Weight128.11 g/mol
Exact Mass127.99
IUPAC Name(hydroxyamino)sulfamic acid
SMILESO=S(=O)(O)NNO
InChIInChI=1S/H4N2O4S/c3-1-2-7(4,5)6/h1-3H,(H,4,5,6)
InChIKeyNXASZRRCJNYWHF-UHFFFAOYSA-N
XLogP-1.73
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (hydroxyamino)sulfamic acid?
The IUPAC name of (hydroxyamino)sulfamic acid (CID 154121918) is (hydroxyamino)sulfamic acid.
What is the SMILES notation for (hydroxyamino)sulfamic acid?
The canonical SMILES for (hydroxyamino)sulfamic acid is O=S(=O)(O)NNO.
What is the InChIKey of (hydroxyamino)sulfamic acid?
The InChIKey is NXASZRRCJNYWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N2O4S/c3-1-2-7(4,5)6/h1-3H,(H,4,5,6).
What are the key properties of (hydroxyamino)sulfamic acid?
(hydroxyamino)sulfamic acid has a molecular weight of 128.11 g/mol, XLogP of -1.73, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (hydroxyamino)sulfamic acid is sourced from PubChem (CID 154121918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).