azane;2-hydroxyethanesulfonic acid

C2H9NO4S — CID 14007809

IUPACazane;2-hydroxyethanesulfonic acid
SMILESN.O=S(=O)(O)CCO
InChIInChI=1S/C2H6O4S.H3N/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);1H3
InChIKeyLLOHIFXFHGMBNO-UHFFFAOYSA-N
MW143.16 g/mol
LogP-0.97
Rot. Bonds2

About azane;2-hydroxyethanesulfonic acid

azane;2-hydroxyethanesulfonic acid (PubChem CID 14007809) has the molecular formula C2H9NO4S and a molecular weight of 143.16 g/mol. Its IUPAC name is azane;2-hydroxyethanesulfonic acid.

Molecular Properties

Compound Nameazane;2-hydroxyethanesulfonic acid
PubChem CID14007809
Molecular FormulaC2H9NO4S
Molecular Weight143.16 g/mol
Exact Mass143.03
IUPAC Nameazane;2-hydroxyethanesulfonic acid
SMILESN.O=S(=O)(O)CCO
InChIInChI=1S/C2H6O4S.H3N/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);1H3
InChIKeyLLOHIFXFHGMBNO-UHFFFAOYSA-N
XLogP-0.97
TPSA109.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxyethanesulfonic acid?
The IUPAC name of azane;2-hydroxyethanesulfonic acid (CID 14007809) is azane;2-hydroxyethanesulfonic acid.
What is the SMILES notation for azane;2-hydroxyethanesulfonic acid?
The canonical SMILES for azane;2-hydroxyethanesulfonic acid is N.O=S(=O)(O)CCO.
What is the InChIKey of azane;2-hydroxyethanesulfonic acid?
The InChIKey is LLOHIFXFHGMBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S.H3N/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);1H3.
What are the key properties of azane;2-hydroxyethanesulfonic acid?
azane;2-hydroxyethanesulfonic acid has a molecular weight of 143.16 g/mol, XLogP of -0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxyethanesulfonic acid is sourced from PubChem (CID 14007809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).