3[N-Morpholino]Propane Sulfonic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.

Morpholines

Organic compounds

Organoheterocyclic compounds

Oxazinanes

Morpholines

Calculated Property

kind Value Source
logP -1.6 ALOGPS
logS -0.75 ALOGPS
Water Solubility 3.72e+01 g/l ALOGPS
logP -2.4 ChemAxon
IUPAC Name 3-(morpholin-4-yl)propane-1-sulfonic acid ChemAxon
Traditional IUPAC Name morpholinopropanesulfonic acid ChemAxon
Molecular Weight 209.263 ChemAxon
Monoisotopic Weight 209.072178663 ChemAxon
SMILES OS(=O)(=O)CCCN1CCOCC1 ChemAxon
Molecular Formula C7H15NO4S ChemAxon
InChI InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11) ChemAxon
InChIKey InChIKey=DVLFYONBTKHTER-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 66.84 ChemAxon
Refractivity 48.61 ChemAxon
Polarizability 20.78 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) -0.96 ChemAxon
pKa (strongest basic) 6.88 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Alpha-xylosidase : in Escherichia coli (strain K12)
  • Granulysin : in Human
  • Phosphoribosylglycinamide formyltransferase 2 : in Escherichia coli (strain K12)