9-morpholin-4-ylnonane-1-sulfonic acid

C13H27NO4S — CID 18415287

IUPAC9-morpholin-4-ylnonane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCN1CCOCC1
InChIInChI=1S/C13H27NO4S/c15-19(16,17)13-7-5-3-1-2-4-6-8-14-9-11-18-12-10-14/h1-13H2,(H,15,16,17)
InChIKeyMGNKELDZXSZHMZ-UHFFFAOYSA-N
MW293.43 g/mol
LogP1.94
Rot. Bonds10

About 9-morpholin-4-ylnonane-1-sulfonic acid

9-morpholin-4-ylnonane-1-sulfonic acid (PubChem CID 18415287) has the molecular formula C13H27NO4S and a molecular weight of 293.43 g/mol. Its IUPAC name is 9-morpholin-4-ylnonane-1-sulfonic acid.

Molecular Properties

Compound Name9-morpholin-4-ylnonane-1-sulfonic acid
PubChem CID18415287
Molecular FormulaC13H27NO4S
Molecular Weight293.43 g/mol
Exact Mass293.17
IUPAC Name9-morpholin-4-ylnonane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCN1CCOCC1
InChIInChI=1S/C13H27NO4S/c15-19(16,17)13-7-5-3-1-2-4-6-8-14-9-11-18-12-10-14/h1-13H2,(H,15,16,17)
InChIKeyMGNKELDZXSZHMZ-UHFFFAOYSA-N
XLogP1.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-morpholin-4-ylnonane-1-sulfonic acid?
The IUPAC name of 9-morpholin-4-ylnonane-1-sulfonic acid (CID 18415287) is 9-morpholin-4-ylnonane-1-sulfonic acid.
What is the SMILES notation for 9-morpholin-4-ylnonane-1-sulfonic acid?
The canonical SMILES for 9-morpholin-4-ylnonane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCN1CCOCC1.
What is the InChIKey of 9-morpholin-4-ylnonane-1-sulfonic acid?
The InChIKey is MGNKELDZXSZHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4S/c15-19(16,17)13-7-5-3-1-2-4-6-8-14-9-11-18-12-10-14/h1-13H2,(H,15,16,17).
What are the key properties of 9-morpholin-4-ylnonane-1-sulfonic acid?
9-morpholin-4-ylnonane-1-sulfonic acid has a molecular weight of 293.43 g/mol, XLogP of 1.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-morpholin-4-ylnonane-1-sulfonic acid is sourced from PubChem (CID 18415287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).