(sulfamoylamino)sulfamic acid

H5N3O5S2 — CID 149433396

IUPAC(sulfamoylamino)sulfamic acid
SMILESNS(=O)(=O)NNS(=O)(=O)O
InChIInChI=1S/H5N3O5S2/c1-9(4,5)2-3-10(6,7)8/h2-3H,(H2,1,4,5)(H,6,7,8)
InChIKeyAGKZJXYXRDMYJJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP-2.91
Rot. Bonds3

About (sulfamoylamino)sulfamic acid

(sulfamoylamino)sulfamic acid (PubChem CID 149433396) has the molecular formula H5N3O5S2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (sulfamoylamino)sulfamic acid.

Molecular Properties

Compound Name(sulfamoylamino)sulfamic acid
PubChem CID149433396
Molecular FormulaH5N3O5S2
Molecular Weight191.19 g/mol
Exact Mass190.97
IUPAC Name(sulfamoylamino)sulfamic acid
SMILESNS(=O)(=O)NNS(=O)(=O)O
InChIInChI=1S/H5N3O5S2/c1-9(4,5)2-3-10(6,7)8/h2-3H,(H2,1,4,5)(H,6,7,8)
InChIKeyAGKZJXYXRDMYJJ-UHFFFAOYSA-N
XLogP-2.91
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-2.91
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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CID 57441847
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Frequently Asked Questions

What is the IUPAC name of (sulfamoylamino)sulfamic acid?
The IUPAC name of (sulfamoylamino)sulfamic acid (CID 149433396) is (sulfamoylamino)sulfamic acid.
What is the SMILES notation for (sulfamoylamino)sulfamic acid?
The canonical SMILES for (sulfamoylamino)sulfamic acid is NS(=O)(=O)NNS(=O)(=O)O.
What is the InChIKey of (sulfamoylamino)sulfamic acid?
The InChIKey is AGKZJXYXRDMYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/H5N3O5S2/c1-9(4,5)2-3-10(6,7)8/h2-3H,(H2,1,4,5)(H,6,7,8).
What are the key properties of (sulfamoylamino)sulfamic acid?
(sulfamoylamino)sulfamic acid has a molecular weight of 191.19 g/mol, XLogP of -2.91, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfamoylamino)sulfamic acid is sourced from PubChem (CID 149433396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).