Metabolite Hydroxymethyl taurultam
- Name
- Hydroxymethyl taurultam
- Description
- Not Available
- Structure
Structure for Hydroxymethyl taurultam
- Synonyms
- Not Available
- UNII
- P999H383CN
- CAS number
- Not Available
- Weight
- Average: 166.2
Monoisotopic: 166.041213364 - Chemical Formula
- C4H10N2O3S
- InChI Key
- RGHLGYPBJUXKOW-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H10N2O3S/c7-4-6-1-2-10(8,9)5-3-6/h5,7H,1-4H2
- IUPAC Name
- 4-(hydroxymethyl)-1lambda6,2,4-thiadiazinane-1,1-dione
- SMILES
- OCN1CCS(=O)(=O)NC1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 68007193
- Predicted Properties
Property Value Source logP -1.8 Chemaxon pKa (Strongest Acidic) 10.78 Chemaxon pKa (Strongest Basic) 3.06 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 69.64 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 35.05 m3·mol-1 Chemaxon Polarizability 14.98 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon