2-aminoethanesulfinic acid;2-aminoethanesulfonic acid

C4H14N2O5S2 — CID 87773826

IUPAC2-aminoethanesulfinic acid;2-aminoethanesulfonic acid
SMILESNCCS(=O)(=O)O.NCCS(=O)O
InChIInChI=1S/C2H7NO3S.C2H7NO2S/c3-1-2-7(4,5)6;3-1-2-6(4)5/h1-3H2,(H,4,5,6);1-3H2,(H,4,5)
InChIKeyOJFAFAAQEAAQJU-UHFFFAOYSA-N
MW234.30 g/mol
LogP-2.00
Rot. Bonds4

About 2-aminoethanesulfinic acid;2-aminoethanesulfonic acid

2-aminoethanesulfinic acid;2-aminoethanesulfonic acid (PubChem CID 87773826) has the molecular formula C4H14N2O5S2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-aminoethanesulfinic acid;2-aminoethanesulfonic acid.

Molecular Properties

Compound Name2-aminoethanesulfinic acid;2-aminoethanesulfonic acid
PubChem CID87773826
Molecular FormulaC4H14N2O5S2
Molecular Weight234.30 g/mol
Exact Mass234.03
IUPAC Name2-aminoethanesulfinic acid;2-aminoethanesulfonic acid
SMILESNCCS(=O)(=O)O.NCCS(=O)O
InChIInChI=1S/C2H7NO3S.C2H7NO2S/c3-1-2-7(4,5)6;3-1-2-6(4)5/h1-3H2,(H,4,5,6);1-3H2,(H,4,5)
InChIKeyOJFAFAAQEAAQJU-UHFFFAOYSA-N
XLogP-2.00
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanesulfinic acid;2-aminoethanesulfonic acid?
The IUPAC name of 2-aminoethanesulfinic acid;2-aminoethanesulfonic acid (CID 87773826) is 2-aminoethanesulfinic acid;2-aminoethanesulfonic acid.
What is the SMILES notation for 2-aminoethanesulfinic acid;2-aminoethanesulfonic acid?
The canonical SMILES for 2-aminoethanesulfinic acid;2-aminoethanesulfonic acid is NCCS(=O)(=O)O.NCCS(=O)O.
What is the InChIKey of 2-aminoethanesulfinic acid;2-aminoethanesulfonic acid?
The InChIKey is OJFAFAAQEAAQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3S.C2H7NO2S/c3-1-2-7(4,5)6;3-1-2-6(4)5/h1-3H2,(H,4,5,6);1-3H2,(H,4,5).
What are the key properties of 2-aminoethanesulfinic acid;2-aminoethanesulfonic acid?
2-aminoethanesulfinic acid;2-aminoethanesulfonic acid has a molecular weight of 234.30 g/mol, XLogP of -2.00, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanesulfinic acid;2-aminoethanesulfonic acid is sourced from PubChem (CID 87773826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).