dihydroxysulfamic acid

H3NO5S — CID 175469759

IUPACdihydroxysulfamic acid
SMILESO=S(=O)(O)N(O)O
InChIInChI=1S/H3NO5S/c2-1(3)7(4,5)6/h2-3H,(H,4,5,6)
InChIKeyPEZZJTRVNJNVGC-UHFFFAOYSA-N
MW129.09 g/mol
LogP-1.13
Rot. Bonds1

About dihydroxysulfamic acid

dihydroxysulfamic acid (PubChem CID 175469759) has the molecular formula H3NO5S and a molecular weight of 129.09 g/mol. Its IUPAC name is dihydroxysulfamic acid.

Molecular Properties

Compound Namedihydroxysulfamic acid
PubChem CID175469759
Molecular FormulaH3NO5S
Molecular Weight129.09 g/mol
Exact Mass128.97
IUPAC Namedihydroxysulfamic acid
SMILESO=S(=O)(O)N(O)O
InChIInChI=1S/H3NO5S/c2-1(3)7(4,5)6/h2-3H,(H,4,5,6)
InChIKeyPEZZJTRVNJNVGC-UHFFFAOYSA-N
XLogP-1.13
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.09
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
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

disulfosulfamic acid;methanesulfonic acid
CID 88812800
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CID 172995537
indigane;sulfuric acid
CID 172996619
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CID 161470529
CID 173398648
CID 173398648
sulfuric acid;titanium
CID 22253908
sulfuric acid;zinc
CID 173312320
cerium;sulfuric acid
CID 45051640
(barium(2+));sulfuric acid
CID 173434226
bismuthane;sulfuric acid
CID 174861750
methane;sulfuric acid
CID 174865737
alumane;sulfuric acid
CID 173042837

Frequently Asked Questions

What is the IUPAC name of dihydroxysulfamic acid?
The IUPAC name of dihydroxysulfamic acid (CID 175469759) is dihydroxysulfamic acid.
What is the SMILES notation for dihydroxysulfamic acid?
The canonical SMILES for dihydroxysulfamic acid is O=S(=O)(O)N(O)O.
What is the InChIKey of dihydroxysulfamic acid?
The InChIKey is PEZZJTRVNJNVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO5S/c2-1(3)7(4,5)6/h2-3H,(H,4,5,6).
What are the key properties of dihydroxysulfamic acid?
dihydroxysulfamic acid has a molecular weight of 129.09 g/mol, XLogP of -1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxysulfamic acid is sourced from PubChem (CID 175469759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).