1-aminoethanesulfinic acid

C2H7NO2S — CID 3019751

IUPAC1-aminoethanesulfinic acid
SMILESCC(N)S(=O)O
InChIInChI=1S/C2H7NO2S/c1-2(3)6(4)5/h2H,3H2,1H3,(H,4,5)
InChIKeyQDTLBJBCSDJSCT-UHFFFAOYSA-N
MW109.15 g/mol
LogP-0.49
Rot. Bonds1

About 1-aminoethanesulfinic acid

1-aminoethanesulfinic acid (PubChem CID 3019751) has the molecular formula C2H7NO2S and a molecular weight of 109.15 g/mol. Its IUPAC name is 1-aminoethanesulfinic acid.

Molecular Properties

Compound Name1-aminoethanesulfinic acid
PubChem CID3019751
Molecular FormulaC2H7NO2S
Molecular Weight109.15 g/mol
Exact Mass109.02
IUPAC Name1-aminoethanesulfinic acid
SMILESCC(N)S(=O)O
InChIInChI=1S/C2H7NO2S/c1-2(3)6(4)5/h2H,3H2,1H3,(H,4,5)
InChIKeyQDTLBJBCSDJSCT-UHFFFAOYSA-N
XLogP-0.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-aminoethanesulfinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Taurine
CID 1123
Hypotaurine
CID 107812
2-Ammonioethanesulfinate
CID 25244088
Homohypotaurine
CID 193060
Thiotaurine
CID 6858023
2-Aminoethanesulfinate
CID 6398954
2-(~15~N)Aminoethane-1-sulfonic acid
CID 12359084
1-Aminoethanesulfonic acid
CID 344570
1-Amino-1-butanesulfonic acid
CID 344577
CID 22799755
CID 22799755
2-Amino(~13~C_2_)ethane-1-sulfonic acid
CID 49849887
Sodium 1-aminoethanesulphonate
CID 23662497

Frequently Asked Questions

What is the IUPAC name of 1-aminoethanesulfinic acid?
The IUPAC name of 1-aminoethanesulfinic acid (CID 3019751) is 1-aminoethanesulfinic acid.
What is the SMILES notation for 1-aminoethanesulfinic acid?
The canonical SMILES for 1-aminoethanesulfinic acid is CC(N)S(=O)O.
What is the InChIKey of 1-aminoethanesulfinic acid?
The InChIKey is QDTLBJBCSDJSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO2S/c1-2(3)6(4)5/h2H,3H2,1H3,(H,4,5).
What are the key properties of 1-aminoethanesulfinic acid?
1-aminoethanesulfinic acid has a molecular weight of 109.15 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanesulfinic acid is sourced from PubChem (CID 3019751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).