2-aminoethanesulfinate

C2H6NO2S- — CID 6398954

IUPAC2-aminoethanesulfinate
SMILESNCCS(=O)[O-]
InChIInChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)/p-1
InChIKeyVVIUBCNYACGLLV-UHFFFAOYSA-M
MW108.14 g/mol
LogP-1.18
Rot. Bonds2

About 2-aminoethanesulfinate

2-aminoethanesulfinate (PubChem CID 6398954) has the molecular formula C2H6NO2S- and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-aminoethanesulfinate.

Molecular Properties

Compound Name2-aminoethanesulfinate
PubChem CID6398954
Molecular FormulaC2H6NO2S-
Molecular Weight108.14 g/mol
Exact Mass108.01
IUPAC Name2-aminoethanesulfinate
SMILESNCCS(=O)[O-]
InChIInChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)/p-1
InChIKeyVVIUBCNYACGLLV-UHFFFAOYSA-M
XLogP-1.18
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanesulfinate?
The IUPAC name of 2-aminoethanesulfinate (CID 6398954) is 2-aminoethanesulfinate.
What is the SMILES notation for 2-aminoethanesulfinate?
The canonical SMILES for 2-aminoethanesulfinate is NCCS(=O)[O-].
What is the InChIKey of 2-aminoethanesulfinate?
The InChIKey is VVIUBCNYACGLLV-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)/p-1.
What are the key properties of 2-aminoethanesulfinate?
2-aminoethanesulfinate has a molecular weight of 108.14 g/mol, XLogP of -1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanesulfinate is sourced from PubChem (CID 6398954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).