2-aminoethanesulfonic acid;sulfamic acid

C2H10N2O6S2 — CID 71767464

IUPAC2-aminoethanesulfonic acid;sulfamic acid
SMILESNCCS(=O)(=O)O.NS(=O)(=O)O
InChIInChI=1S/C2H7NO3S.H3NO3S/c3-1-2-7(4,5)6;1-5(2,3)4/h1-3H2,(H,4,5,6);(H3,1,2,3,4)
InChIKeyZRKYWMJIHOLRHZ-UHFFFAOYSA-N
MW222.24 g/mol
LogP-2.42
Rot. Bonds2

About 2-aminoethanesulfonic acid;sulfamic acid

2-aminoethanesulfonic acid;sulfamic acid (PubChem CID 71767464) has the molecular formula C2H10N2O6S2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-aminoethanesulfonic acid;sulfamic acid.

Molecular Properties

Compound Name2-aminoethanesulfonic acid;sulfamic acid
PubChem CID71767464
Molecular FormulaC2H10N2O6S2
Molecular Weight222.24 g/mol
Exact Mass222.00
IUPAC Name2-aminoethanesulfonic acid;sulfamic acid
SMILESNCCS(=O)(=O)O.NS(=O)(=O)O
InChIInChI=1S/C2H7NO3S.H3NO3S/c3-1-2-7(4,5)6;1-5(2,3)4/h1-3H2,(H,4,5,6);(H3,1,2,3,4)
InChIKeyZRKYWMJIHOLRHZ-UHFFFAOYSA-N
XLogP-2.42
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-2.42
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

Tramiprosate
CID 1646
Magnesium taurate
CID 13343447
Taurinamide
CID 101263
2-(2-Aminoethylsulfonylsulfanyl)ethanamine
CID 437876
Sodium;3-aminopropane-1-sulfonic acid;hydrate
CID 25163030
Iron(II) taurate
CID 165362857
Cystamine Sulfate
CID 12998627
2-Aminoethanesulphonamide monohydrochloride
CID 3021549
Taurine Hydrochloride
CID 22174439
Homothiotaurine
CID 191044
Taurine Zinc Salt (2:1)
CID 88092469
3-Aminopropane-1-sulfonamide
CID 13343446

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanesulfonic acid;sulfamic acid?
The IUPAC name of 2-aminoethanesulfonic acid;sulfamic acid (CID 71767464) is 2-aminoethanesulfonic acid;sulfamic acid.
What is the SMILES notation for 2-aminoethanesulfonic acid;sulfamic acid?
The canonical SMILES for 2-aminoethanesulfonic acid;sulfamic acid is NCCS(=O)(=O)O.NS(=O)(=O)O.
What is the InChIKey of 2-aminoethanesulfonic acid;sulfamic acid?
The InChIKey is ZRKYWMJIHOLRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3S.H3NO3S/c3-1-2-7(4,5)6;1-5(2,3)4/h1-3H2,(H,4,5,6);(H3,1,2,3,4).
What are the key properties of 2-aminoethanesulfonic acid;sulfamic acid?
2-aminoethanesulfonic acid;sulfamic acid has a molecular weight of 222.24 g/mol, XLogP of -2.42, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanesulfonic acid;sulfamic acid is sourced from PubChem (CID 71767464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).