ethanamine;ethanesulfonic acid

C4H13NO3S — CID 19895972

IUPACethanamine;ethanesulfonic acid
SMILESCCN.CCS(=O)(=O)O
InChIInChI=1S/C2H7N.C2H6O3S/c1-2-3;1-2-6(3,4)5/h2-3H2,1H3;2H2,1H3,(H,3,4,5)
InChIKeyCZVTXKRFMUPSMV-UHFFFAOYSA-N
MW155.22 g/mol
LogP-0.14
Rot. Bonds1

About ethanamine;ethanesulfonic acid

ethanamine;ethanesulfonic acid (PubChem CID 19895972) has the molecular formula C4H13NO3S and a molecular weight of 155.22 g/mol. Its IUPAC name is ethanamine;ethanesulfonic acid.

Molecular Properties

Compound Nameethanamine;ethanesulfonic acid
PubChem CID19895972
Molecular FormulaC4H13NO3S
Molecular Weight155.22 g/mol
Exact Mass155.06
IUPAC Nameethanamine;ethanesulfonic acid
SMILESCCN.CCS(=O)(=O)O
InChIInChI=1S/C2H7N.C2H6O3S/c1-2-3;1-2-6(3,4)5/h2-3H2,1H3;2H2,1H3,(H,3,4,5)
InChIKeyCZVTXKRFMUPSMV-UHFFFAOYSA-N
XLogP-0.14
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethanamine;ethanesulfonic 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
Tramiprosate
CID 1646
Hypotaurine
CID 107812
N-Methyltaurine
CID 7882
Homohypotaurine
CID 193060
2-Amino-1-propanesulfonic acid
CID 110955
5-Aminopentanesulfonic acid
CID 169850
Sodium;3-aminopropane-1-sulfonic acid;hydrate
CID 25163030
2-(~15~N)Aminoethane-1-sulfonic acid
CID 12359084
1-Amino-2-methylpropane-1-sulfonic acid
CID 315323
2-Methanesulfonylpropan-1-amine
CID 54446112
Taurine Hydrochloride
CID 22174439

Frequently Asked Questions

What is the IUPAC name of ethanamine;ethanesulfonic acid?
The IUPAC name of ethanamine;ethanesulfonic acid (CID 19895972) is ethanamine;ethanesulfonic acid.
What is the SMILES notation for ethanamine;ethanesulfonic acid?
The canonical SMILES for ethanamine;ethanesulfonic acid is CCN.CCS(=O)(=O)O.
What is the InChIKey of ethanamine;ethanesulfonic acid?
The InChIKey is CZVTXKRFMUPSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.C2H6O3S/c1-2-3;1-2-6(3,4)5/h2-3H2,1H3;2H2,1H3,(H,3,4,5).
What are the key properties of ethanamine;ethanesulfonic acid?
ethanamine;ethanesulfonic acid has a molecular weight of 155.22 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethanesulfonic acid is sourced from PubChem (CID 19895972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).