Ethanesulfonic acid,2-amino-, sodium salt (1:1)

C2H7NNaO3S — CID 53471337

IUPAC—
SMILESNCCS(=O)(=O)O.[Na]
InChIInChI=1S/C2H7NO3S.Na/c3-1-2-7(4,5)6;/h1-3H2,(H,4,5,6);
InChIKeyMDMBYMJYFDDMMO-UHFFFAOYSA-N
MW148.14 g/mol
LogP-1.55
Rot. Bonds2

About Ethanesulfonic acid,2-amino-, sodium salt (1:1)

Ethanesulfonic acid,2-amino-, sodium salt (1:1) (PubChem CID 53471337) has the molecular formula C2H7NNaO3S and a molecular weight of 148.14 g/mol.

Molecular Properties

Compound NameEthanesulfonic acid,2-amino-, sodium salt (1:1)
PubChem CID53471337
Molecular FormulaC2H7NNaO3S
Molecular Weight148.14 g/mol
Exact Mass148.00
IUPAC Name—
SMILESNCCS(=O)(=O)O.[Na]
InChIInChI=1S/C2H7NO3S.Na/c3-1-2-7(4,5)6;/h1-3H2,(H,4,5,6);
InChIKeyMDMBYMJYFDDMMO-UHFFFAOYSA-N
XLogP-1.55
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze Ethanesulfonic acid,2-amino-, sodium salt (1:1) 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

2-aminoethanesulfonic acid;iron
CID 174379186
2-aminoethanesulfonic acid;λ2-plumbane
CID 173327992
strontium;2-aminoethanesulfonic acid;hydride
CID 174530602
2-aminoethanesulfonic acid;deuterium monohydride
CID 175205944
2-aminoethanesulfonic acid;urea;hydrate
CID 134249189
2-aminoethanesulfonic acid;phosphoric acid
CID 174528492
2-aminoethanesulfonic acid;formamide;hydrochloride
CID 173249387
2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride
CID 173378884
CID 22244101
CID 22244101
2-aminoethanesulfonic acid;hexane-1,2,3,4,5,6-hexol
CID 19097590
potassium;3-aminopropane-1-sulfonic acid;chloride
CID 172840895
strontium;3-aminopropane-1-sulfonic acid;hydride
CID 174544625

Frequently Asked Questions

What is the IUPAC name of Ethanesulfonic acid,2-amino-, sodium salt (1:1)?
The IUPAC name of Ethanesulfonic acid,2-amino-, sodium salt (1:1) (CID 53471337) is not available.
What is the SMILES notation for Ethanesulfonic acid,2-amino-, sodium salt (1:1)?
The canonical SMILES for Ethanesulfonic acid,2-amino-, sodium salt (1:1) is NCCS(=O)(=O)O.[Na].
What is the InChIKey of Ethanesulfonic acid,2-amino-, sodium salt (1:1)?
The InChIKey is MDMBYMJYFDDMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3S.Na/c3-1-2-7(4,5)6;/h1-3H2,(H,4,5,6);.
What are the key properties of Ethanesulfonic acid,2-amino-, sodium salt (1:1)?
Ethanesulfonic acid,2-amino-, sodium salt (1:1) has a molecular weight of 148.14 g/mol, XLogP of -1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Ethanesulfonic acid,2-amino-, sodium salt (1:1) is sourced from PubChem (CID 53471337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).