sodium;2-hydroxyethanesulfonic acid;methanamine

C3H10NNaO4S — CID 175372876

IUPACsodium;2-hydroxyethanesulfonic acid;methanamine
SMILESO=S(=O)(O)CCO.[CH2-]N.[Na+]
InChIInChI=1S/C2H6O4S.CH4N.Na/c3-1-2-7(4,5)6;1-2;/h3H,1-2H2,(H,4,5,6);1-2H2;/q;-1;+1
InChIKeyUYCXADUVLOOSFG-UHFFFAOYSA-N
MW179.17 g/mol
LogP-4.39
Rot. Bonds2

About sodium;2-hydroxyethanesulfonic acid;methanamine

sodium;2-hydroxyethanesulfonic acid;methanamine (PubChem CID 175372876) has the molecular formula C3H10NNaO4S and a molecular weight of 179.17 g/mol. Its IUPAC name is sodium;2-hydroxyethanesulfonic acid;methanamine.

Molecular Properties

Compound Namesodium;2-hydroxyethanesulfonic acid;methanamine
PubChem CID175372876
Molecular FormulaC3H10NNaO4S
Molecular Weight179.17 g/mol
Exact Mass179.02
IUPAC Namesodium;2-hydroxyethanesulfonic acid;methanamine
SMILESO=S(=O)(O)CCO.[CH2-]N.[Na+]
InChIInChI=1S/C2H6O4S.CH4N.Na/c3-1-2-7(4,5)6;1-2;/h3H,1-2H2,(H,4,5,6);1-2H2;/q;-1;+1
InChIKeyUYCXADUVLOOSFG-UHFFFAOYSA-N
XLogP-4.39
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-4.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;2-hydroxyethanesulfonic acid
CID 173006152
sodium;carbanide;2-hydroxyethanesulfonic acid
CID 134208843
2-hydroxyethanesulfonic acid;silver
CID 87209091
lithium;hydride;2-hydroxyethanesulfonic acid
CID 173041120
acetamide;2-hydroxyethanesulfonic acid
CID 174595105
2-hydroxyethanesulfonic acid;isocyanic acid
CID 159735237
sodium;dodecane;2-hydroxyethanesulfonic acid
CID 174297331
CID 175797293
CID 175797293
ethane-1,2-disulfonic acid;methane
CID 161397392
2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride
CID 173378884
18-hydroxyoctadecane-1-sulfonic acid
CID 22372907
16-hydroxyhexadecane-1-sulfonic acid
CID 19978840

Frequently Asked Questions

What is the IUPAC name of sodium;2-hydroxyethanesulfonic acid;methanamine?
The IUPAC name of sodium;2-hydroxyethanesulfonic acid;methanamine (CID 175372876) is sodium;2-hydroxyethanesulfonic acid;methanamine.
What is the SMILES notation for sodium;2-hydroxyethanesulfonic acid;methanamine?
The canonical SMILES for sodium;2-hydroxyethanesulfonic acid;methanamine is O=S(=O)(O)CCO.[CH2-]N.[Na+].
What is the InChIKey of sodium;2-hydroxyethanesulfonic acid;methanamine?
The InChIKey is UYCXADUVLOOSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S.CH4N.Na/c3-1-2-7(4,5)6;1-2;/h3H,1-2H2,(H,4,5,6);1-2H2;/q;-1;+1.
What are the key properties of sodium;2-hydroxyethanesulfonic acid;methanamine?
sodium;2-hydroxyethanesulfonic acid;methanamine has a molecular weight of 179.17 g/mol, XLogP of -4.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-hydroxyethanesulfonic acid;methanamine is sourced from PubChem (CID 175372876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).