2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
Basic information
- CAS
847773-60-8- Standard SMILES
Cn1nnnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1- InChIKey
DNHORBKCLDXBGA-UHFFFAOYSA-N- Molecular formula
- C15H20N6O3S2
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.10383087
Names & identifiers
- Preferred name
- 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
- IUPAC
- 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
Names & synonyms
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamideMLS002251432CHEMBL1883707DTXSID101332370HMS3054F12AKOS002481240847773-60-8SMR001313830Z185203352-[(1-Methyl-1H-tetrazol-5-yl)sulfanyl]-N-[3-(piperidine-1-sulfonyl)phenyl]acetamide
Database identifiers
- CAS
847773-60-8- PubChem CID
- 3919132
- DTXSID
DTXSID101332370- ChEMBL
CHEMBL1883707
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 578
Experimental & physicochemical properties
Solubility37.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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