azane;2-sulfoacetic acid

C2H10N2O5S — CID 131882326

IUPACazane;2-sulfoacetic acid
SMILESN.N.O=C(O)CS(=O)(=O)O
InChIInChI=1S/C2H4O5S.2H3N/c3-2(4)1-8(5,6)7;;/h1H2,(H,3,4)(H,5,6,7);2*1H3
InChIKeyJTZUGUMTABQGPJ-UHFFFAOYSA-N
MW174.18 g/mol
LogP-0.72
Rot. Bonds2

About azane;2-sulfoacetic acid

azane;2-sulfoacetic acid (PubChem CID 131882326) has the molecular formula C2H10N2O5S and a molecular weight of 174.18 g/mol. Its IUPAC name is azane;2-sulfoacetic acid.

Molecular Properties

Compound Nameazane;2-sulfoacetic acid
PubChem CID131882326
Molecular FormulaC2H10N2O5S
Molecular Weight174.18 g/mol
Exact Mass174.03
IUPAC Nameazane;2-sulfoacetic acid
SMILESN.N.O=C(O)CS(=O)(=O)O
InChIInChI=1S/C2H4O5S.2H3N/c3-2(4)1-8(5,6)7;;/h1H2,(H,3,4)(H,5,6,7);2*1H3
InChIKeyJTZUGUMTABQGPJ-UHFFFAOYSA-N
XLogP-0.72
TPSA161.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 azane;2-sulfoacetic acid?
The IUPAC name of azane;2-sulfoacetic acid (CID 131882326) is azane;2-sulfoacetic acid.
What is the SMILES notation for azane;2-sulfoacetic acid?
The canonical SMILES for azane;2-sulfoacetic acid is N.N.O=C(O)CS(=O)(=O)O.
What is the InChIKey of azane;2-sulfoacetic acid?
The InChIKey is JTZUGUMTABQGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O5S.2H3N/c3-2(4)1-8(5,6)7;;/h1H2,(H,3,4)(H,5,6,7);2*1H3.
What are the key properties of azane;2-sulfoacetic acid?
azane;2-sulfoacetic acid has a molecular weight of 174.18 g/mol, XLogP of -0.72, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-sulfoacetic acid is sourced from PubChem (CID 131882326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).