sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid

C7H16NNaO4S — CID 172999805

IUPACsodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid
SMILESO=S(=O)(O)CCCN1CCOCC1.[H-].[Na+]
InChIInChI=1S/C7H15NO4S.Na.H/c9-13(10,11)7-1-2-8-3-5-12-6-4-8;;/h1-7H2,(H,9,10,11);;/q;+1;-1
InChIKeyPMYGDBQPWOTFPU-UHFFFAOYSA-N
MW233.26 g/mol
LogP-3.29
Rot. Bonds4

About sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid

sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid (PubChem CID 172999805) has the molecular formula C7H16NNaO4S and a molecular weight of 233.26 g/mol. Its IUPAC name is sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid
PubChem CID172999805
Molecular FormulaC7H16NNaO4S
Molecular Weight233.26 g/mol
Exact Mass233.07
IUPAC Namesodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid
SMILESO=S(=O)(O)CCCN1CCOCC1.[H-].[Na+]
InChIInChI=1S/C7H15NO4S.Na.H/c9-13(10,11)7-1-2-8-3-5-12-6-4-8;;/h1-7H2,(H,9,10,11);;/q;+1;-1
InChIKeyPMYGDBQPWOTFPU-UHFFFAOYSA-N
XLogP-3.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-3.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 5478391
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1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid
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iron(3+);tris(3-morpholin-4-ylpropane-1-sulfonate)
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3-(2-methylmorpholin-4-yl)propane-1-sulfonic acid
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4-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]morpholine
CID 139839803
3-(4-methylpiperidin-1-yl)propane-1-sulfonic acid
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propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate
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16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid?
The IUPAC name of sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid (CID 172999805) is sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid.
What is the SMILES notation for sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid?
The canonical SMILES for sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid is O=S(=O)(O)CCCN1CCOCC1.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid?
The InChIKey is PMYGDBQPWOTFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S.Na.H/c9-13(10,11)7-1-2-8-3-5-12-6-4-8;;/h1-7H2,(H,9,10,11);;/q;+1;-1.
What are the key properties of sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid?
sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid has a molecular weight of 233.26 g/mol, XLogP of -3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid is sourced from PubChem (CID 172999805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).