2-aminoethanesulfonic acid

C4H14N2O6S2 — CID 22395471

IUPAC2-aminoethanesulfonic acid
SMILESNCCS(=O)(=O)O.NCCS(=O)(=O)O
InChIInChI=1S/2C2H7NO3S/c2*3-1-2-7(4,5)6/h2*1-3H2,(H,4,5,6)
InChIKeyHOHIAEPXOHCCGW-UHFFFAOYSA-N
MW250.30 g/mol
LogP-2.33
Rot. Bonds4

About 2-aminoethanesulfonic acid

2-aminoethanesulfonic acid (PubChem CID 22395471) has the molecular formula C4H14N2O6S2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-aminoethanesulfonic acid.

Molecular Properties

Compound Name2-aminoethanesulfonic acid
PubChem CID22395471
Molecular FormulaC4H14N2O6S2
Molecular Weight250.30 g/mol
Exact Mass250.03
IUPAC Name2-aminoethanesulfonic acid
SMILESNCCS(=O)(=O)O.NCCS(=O)(=O)O
InChIInChI=1S/2C2H7NO3S/c2*3-1-2-7(4,5)6/h2*1-3H2,(H,4,5,6)
InChIKeyHOHIAEPXOHCCGW-UHFFFAOYSA-N
XLogP-2.33
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-2.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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
2-(2-Aminoethylsulfonylsulfanyl)ethanamine
CID 437876
Sodium;3-aminopropane-1-sulfonic acid;hydrate
CID 25163030
Iron(II) taurate
CID 165362857
Cystamine Sulfate
CID 12998627
Taurine Hydrochloride
CID 22174439
4-Aminobutanesulfonic acid
CID 3014806
Thiotaurine S-(2-aminoethyl) ester, dihydrochloride
CID 3084052
Homothiotaurine
CID 191044
Taurine Zinc Salt (2:1)
CID 88092469
1-Propanesulfonic acid,3-amino-, sodium salt, hydrate (1:1:2)
CID 16218904

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanesulfonic acid?
The IUPAC name of 2-aminoethanesulfonic acid (CID 22395471) is 2-aminoethanesulfonic acid.
What is the SMILES notation for 2-aminoethanesulfonic acid?
The canonical SMILES for 2-aminoethanesulfonic acid is NCCS(=O)(=O)O.NCCS(=O)(=O)O.
What is the InChIKey of 2-aminoethanesulfonic acid?
The InChIKey is HOHIAEPXOHCCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H7NO3S/c2*3-1-2-7(4,5)6/h2*1-3H2,(H,4,5,6).
What are the key properties of 2-aminoethanesulfonic acid?
2-aminoethanesulfonic acid has a molecular weight of 250.30 g/mol, XLogP of -2.33, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanesulfonic acid is sourced from PubChem (CID 22395471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).