morpholine-4-sulfonate

C4H8NO4S- — CID 3104918

IUPACmorpholine-4-sulfonate
SMILESO=S(=O)([O-])N1CCOCC1
InChIInChI=1S/C4H9NO4S/c6-10(7,8)5-1-3-9-4-2-5/h1-4H2,(H,6,7,8)/p-1
InChIKeyGLGNSAPAWZUDRT-UHFFFAOYSA-M
MW166.18 g/mol
LogP-1.22
Rot. Bonds1

About morpholine-4-sulfonate

morpholine-4-sulfonate (PubChem CID 3104918) has the molecular formula C4H8NO4S- and a molecular weight of 166.18 g/mol. Its IUPAC name is morpholine-4-sulfonate.

Molecular Properties

Compound Namemorpholine-4-sulfonate
PubChem CID3104918
Molecular FormulaC4H8NO4S-
Molecular Weight166.18 g/mol
Exact Mass166.02
IUPAC Namemorpholine-4-sulfonate
SMILESO=S(=O)([O-])N1CCOCC1
InChIInChI=1S/C4H9NO4S/c6-10(7,8)5-1-3-9-4-2-5/h1-4H2,(H,6,7,8)/p-1
InChIKeyGLGNSAPAWZUDRT-UHFFFAOYSA-M
XLogP-1.22
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 morpholine-4-sulfonate?
The IUPAC name of morpholine-4-sulfonate (CID 3104918) is morpholine-4-sulfonate.
What is the SMILES notation for morpholine-4-sulfonate?
The canonical SMILES for morpholine-4-sulfonate is O=S(=O)([O-])N1CCOCC1.
What is the InChIKey of morpholine-4-sulfonate?
The InChIKey is GLGNSAPAWZUDRT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO4S/c6-10(7,8)5-1-3-9-4-2-5/h1-4H2,(H,6,7,8)/p-1.
What are the key properties of morpholine-4-sulfonate?
morpholine-4-sulfonate has a molecular weight of 166.18 g/mol, XLogP of -1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-4-sulfonate is sourced from PubChem (CID 3104918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).