sodium;carbanide;2-hydroxyethanesulfonic acid

C3H9NaO4S — CID 134208843

IUPACsodium;carbanide;2-hydroxyethanesulfonic acid
SMILESO=S(=O)(O)CCO.[CH3-].[Na+]
InChIInChI=1S/C2H6O4S.CH3.Na/c3-1-2-7(4,5)6;;/h3H,1-2H2,(H,4,5,6);1H3;/q;-1;+1
InChIKeyMMTAGXCQROPLLI-UHFFFAOYSA-N
MW164.16 g/mol
LogP-3.68
Rot. Bonds2

About sodium;carbanide;2-hydroxyethanesulfonic acid

sodium;carbanide;2-hydroxyethanesulfonic acid (PubChem CID 134208843) has the molecular formula C3H9NaO4S and a molecular weight of 164.16 g/mol. Its IUPAC name is sodium;carbanide;2-hydroxyethanesulfonic acid.

Molecular Properties

Compound Namesodium;carbanide;2-hydroxyethanesulfonic acid
PubChem CID134208843
Molecular FormulaC3H9NaO4S
Molecular Weight164.16 g/mol
Exact Mass164.01
IUPAC Namesodium;carbanide;2-hydroxyethanesulfonic acid
SMILESO=S(=O)(O)CCO.[CH3-].[Na+]
InChIInChI=1S/C2H6O4S.CH3.Na/c3-1-2-7(4,5)6;;/h3H,1-2H2,(H,4,5,6);1H3;/q;-1;+1
InChIKeyMMTAGXCQROPLLI-UHFFFAOYSA-N
XLogP-3.68
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-3.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;carbanide;2-hydroxyethanesulfonic 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

sodium;hydride;2-hydroxyethanesulfonic acid
CID 173006152
lithium;hydride;2-hydroxyethanesulfonic acid
CID 173041120
2-hydroxyethanesulfonic acid;silver
CID 87209091
sodium;2-hydroxyethanesulfonic acid;methanamine
CID 175372876
2-hydroxyethanesulfonic acid;isocyanic acid
CID 159735237
acetamide;2-hydroxyethanesulfonic acid
CID 174595105
CID 175797293
CID 175797293
sodium;dodecane;2-hydroxyethanesulfonic acid
CID 174297331
ethane-1,2-disulfonic acid;methane
CID 161397392
18-hydroxyoctadecane-1-sulfonic acid
CID 22372907
16-hydroxyhexadecane-1-sulfonic acid
CID 19978840
3-(2-carboxyethylamino)propanoic acid;2-hydroxyethanesulfonic acid
CID 89422112

Frequently Asked Questions

What is the IUPAC name of sodium;carbanide;2-hydroxyethanesulfonic acid?
The IUPAC name of sodium;carbanide;2-hydroxyethanesulfonic acid (CID 134208843) is sodium;carbanide;2-hydroxyethanesulfonic acid.
What is the SMILES notation for sodium;carbanide;2-hydroxyethanesulfonic acid?
The canonical SMILES for sodium;carbanide;2-hydroxyethanesulfonic acid is O=S(=O)(O)CCO.[CH3-].[Na+].
What is the InChIKey of sodium;carbanide;2-hydroxyethanesulfonic acid?
The InChIKey is MMTAGXCQROPLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S.CH3.Na/c3-1-2-7(4,5)6;;/h3H,1-2H2,(H,4,5,6);1H3;/q;-1;+1.
What are the key properties of sodium;carbanide;2-hydroxyethanesulfonic acid?
sodium;carbanide;2-hydroxyethanesulfonic acid has a molecular weight of 164.16 g/mol, XLogP of -3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbanide;2-hydroxyethanesulfonic acid is sourced from PubChem (CID 134208843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).