sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate

C7H16NNaO5S — CID 43833364

IUPACsodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate
SMILESO.O=S(=O)([O-])CCCN1CCOCC1.[Na+]
InChIInChI=1S/C7H15NO4S.Na.H2O/c9-13(10,11)7-1-2-8-3-5-12-6-4-8;;/h1-7H2,(H,9,10,11);;1H2/q;+1;/p-1
InChIKeyZEDAGFBWUVYFQU-UHFFFAOYSA-M
MW249.26 g/mol
LogP-4.57
Rot. Bonds4

About sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate

sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate (PubChem CID 43833364) has the molecular formula C7H16NNaO5S and a molecular weight of 249.26 g/mol. Its IUPAC name is sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate.

Molecular Properties

Compound Namesodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate
PubChem CID43833364
Molecular FormulaC7H16NNaO5S
Molecular Weight249.26 g/mol
Exact Mass249.06
IUPAC Namesodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate
SMILESO.O=S(=O)([O-])CCCN1CCOCC1.[Na+]
InChIInChI=1S/C7H15NO4S.Na.H2O/c9-13(10,11)7-1-2-8-3-5-12-6-4-8;;/h1-7H2,(H,9,10,11);;1H2/q;+1;/p-1
InChIKeyZEDAGFBWUVYFQU-UHFFFAOYSA-M
XLogP-4.57
TPSA101.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-4.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

iron(3+);tris(3-morpholin-4-ylpropane-1-sulfonate)
CID 158409877
sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid
CID 172999805
CID 5478391
CID 5478391
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
4-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]morpholine
CID 139839803
propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate
CID 175290511
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
bis(3-morpholin-4-ylpropyl) sulfate
CID 57165221
4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride
CID 3029441
3-piperidin-1-ylpropane-1-sulfonate;tetraethylazanium
CID 56973044
3-morpholin-4-ylpropyl propane-1-sulfonate
CID 118072969
4-(3-bromopropyl)morpholine
CID 13034048

Frequently Asked Questions

What is the IUPAC name of sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate?
The IUPAC name of sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate (CID 43833364) is sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate.
What is the SMILES notation for sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate?
The canonical SMILES for sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate is O.O=S(=O)([O-])CCCN1CCOCC1.[Na+].
What is the InChIKey of sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate?
The InChIKey is ZEDAGFBWUVYFQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15NO4S.Na.H2O/c9-13(10,11)7-1-2-8-3-5-12-6-4-8;;/h1-7H2,(H,9,10,11);;1H2/q;+1;/p-1.
What are the key properties of sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate?
sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate has a molecular weight of 249.26 g/mol, XLogP of -4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate is sourced from PubChem (CID 43833364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).