morpholine-3-sulfonic acid

C4H9NO4S — CID 123846151

IUPACmorpholine-3-sulfonic acid
SMILESO=S(=O)(O)C1COCCN1
InChIInChI=1S/C4H9NO4S/c6-10(7,8)4-3-9-2-1-5-4/h4-5H,1-3H2,(H,6,7,8)
InChIKeyCPOHTZVUYCNAEW-UHFFFAOYSA-N
MW167.19 g/mol
LogP-1.18
Rot. Bonds1

About morpholine-3-sulfonic acid

morpholine-3-sulfonic acid (PubChem CID 123846151) has the molecular formula C4H9NO4S and a molecular weight of 167.19 g/mol. Its IUPAC name is morpholine-3-sulfonic acid.

Molecular Properties

Compound Namemorpholine-3-sulfonic acid
PubChem CID123846151
Molecular FormulaC4H9NO4S
Molecular Weight167.19 g/mol
Exact Mass167.03
IUPAC Namemorpholine-3-sulfonic acid
SMILESO=S(=O)(O)C1COCCN1
InChIInChI=1S/C4H9NO4S/c6-10(7,8)4-3-9-2-1-5-4/h4-5H,1-3H2,(H,6,7,8)
InChIKeyCPOHTZVUYCNAEW-UHFFFAOYSA-N
XLogP-1.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
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-3-sulfonic acid?
The IUPAC name of morpholine-3-sulfonic acid (CID 123846151) is morpholine-3-sulfonic acid.
What is the SMILES notation for morpholine-3-sulfonic acid?
The canonical SMILES for morpholine-3-sulfonic acid is O=S(=O)(O)C1COCCN1.
What is the InChIKey of morpholine-3-sulfonic acid?
The InChIKey is CPOHTZVUYCNAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S/c6-10(7,8)4-3-9-2-1-5-4/h4-5H,1-3H2,(H,6,7,8).
What are the key properties of morpholine-3-sulfonic acid?
morpholine-3-sulfonic acid has a molecular weight of 167.19 g/mol, XLogP of -1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-3-sulfonic acid is sourced from PubChem (CID 123846151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).