(sulfoamino)sulfamic acid

H4N2O6S2 — CID 19817398

IUPAC(sulfoamino)sulfamic acid
SMILESO=S(=O)(O)NNS(=O)(=O)O
InChIInChI=1S/H4N2O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H,(H,3,4,5)(H,6,7,8)
InChIKeyXTIFKYBZJZGLPQ-UHFFFAOYSA-N
MW192.17 g/mol
LogP-2.31
Rot. Bonds3

About (sulfoamino)sulfamic acid

(sulfoamino)sulfamic acid (PubChem CID 19817398) has the molecular formula H4N2O6S2 and a molecular weight of 192.17 g/mol. Its IUPAC name is (sulfoamino)sulfamic acid.

Molecular Properties

Compound Name(sulfoamino)sulfamic acid
PubChem CID19817398
Molecular FormulaH4N2O6S2
Molecular Weight192.17 g/mol
Exact Mass191.95
IUPAC Name(sulfoamino)sulfamic acid
SMILESO=S(=O)(O)NNS(=O)(=O)O
InChIInChI=1S/H4N2O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H,(H,3,4,5)(H,6,7,8)
InChIKeyXTIFKYBZJZGLPQ-UHFFFAOYSA-N
XLogP-2.31
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-2.31
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (sulfoamino)sulfamic acid?
The IUPAC name of (sulfoamino)sulfamic acid (CID 19817398) is (sulfoamino)sulfamic acid.
What is the SMILES notation for (sulfoamino)sulfamic acid?
The canonical SMILES for (sulfoamino)sulfamic acid is O=S(=O)(O)NNS(=O)(=O)O.
What is the InChIKey of (sulfoamino)sulfamic acid?
The InChIKey is XTIFKYBZJZGLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N2O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H,(H,3,4,5)(H,6,7,8).
What are the key properties of (sulfoamino)sulfamic acid?
(sulfoamino)sulfamic acid has a molecular weight of 192.17 g/mol, XLogP of -2.31, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfoamino)sulfamic acid is sourced from PubChem (CID 19817398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).