1H-1,2,3-Triazole-4-carboxylic acid, 1-[[1-(methylsulfonyl)-2-piperidinyl]methyl]-
Basic information
- CAS
1785762-62-0- Standard SMILES
CS(=O)(=O)N1CCCCC1Cn1cc(C(=O)O)nn1- InChIKey
REAKCQUGZLGOMF-UHFFFAOYSA-N- Molecular formula
- C10H16N4O4S
- Average molar mass
- 288.33 g/mol
- Monoisotopic mass
- 288.08922618
Names & identifiers
- Preferred name
- 1H-1,2,3-Triazole-4-carboxylic acid, 1-[[1-(methylsulfonyl)-2-piperidinyl]methyl]-
- IUPAC
- 1-[(1-methylsulfonylpiperidin-2-yl)methyl]triazole-4-carboxylic acid
Names & synonyms
1H-1,2,3-Triazole-4-carboxylic acid, 1-[[1-(methylsulfonyl)-2-piperidinyl]methyl]-1785762-62-0DTXSID001131721AKOS0221917311-{[1-(Methanesulfonyl)piperidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Database identifiers
- CAS
1785762-62-0- PubChem CID
- 82018017
- DTXSID
DTXSID001131721
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…