sodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate

C7H14NNaO5S — CID 23675131

IUPACsodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate
SMILESO=S(=O)([O-])CC(O)CN1CCOCC1.[Na+]
InChIInChI=1S/C7H15NO5S.Na/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8;/h7,9H,1-6H2,(H,10,11,12);/q;+1/p-1
InChIKeyWSFQLUVWDKCYSW-UHFFFAOYSA-M
MW247.25 g/mol
LogP-4.77
Rot. Bonds4

About sodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate

sodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate (PubChem CID 23675131) has the molecular formula C7H14NNaO5S and a molecular weight of 247.25 g/mol. Its IUPAC name is sodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate.

Molecular Properties

Compound Namesodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate
PubChem CID23675131
Molecular FormulaC7H14NNaO5S
Molecular Weight247.25 g/mol
Exact Mass247.05
IUPAC Namesodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate
SMILESO=S(=O)([O-])CC(O)CN1CCOCC1.[Na+]
InChIInChI=1S/C7H15NO5S.Na/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8;/h7,9H,1-6H2,(H,10,11,12);/q;+1/p-1
InChIKeyWSFQLUVWDKCYSW-UHFFFAOYSA-M
XLogP-4.77
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-4.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate?
The IUPAC name of sodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate (CID 23675131) is sodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate.
What is the SMILES notation for sodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate?
The canonical SMILES for sodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate is O=S(=O)([O-])CC(O)CN1CCOCC1.[Na+].
What is the InChIKey of sodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate?
The InChIKey is WSFQLUVWDKCYSW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15NO5S.Na/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8;/h7,9H,1-6H2,(H,10,11,12);/q;+1/p-1.
What are the key properties of sodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate?
sodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate has a molecular weight of 247.25 g/mol, XLogP of -4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-hydroxy-3-morpholin-4-ylpropane-1-sulfonate is sourced from PubChem (CID 23675131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).