Basic information
- CAS
6035-81-0- Standard SMILES
Cc1ccccc1CN1CCN(S(C)(=O)=O)CC1- InChIKey
XFHREGBEBGGVNA-UHFFFAOYSA-N- Molecular formula
- C13H20N2O2S
- Average molar mass
- 268.38 g/mol
- Monoisotopic mass
- 268.12454906
Names & identifiers
- Preferred name
- 1-Methanesulfonyl-4-(2-methyl-benzyl)-piperazine
- IUPAC
- 1-[(2-methylphenyl)methyl]-4-methylsulfonylpiperazine
Names & synonyms
1-(2-methylbenzyl)-4-(methylsulfonyl)piperazine6035-81-01-Methanesulfonyl-4-(2-methyl-benzyl)-piperazineSMR000123060CBMicro_003884Oprea1_015799Oprea1_625899MLS0000354721-[(2-methylphenyl)methyl]-4-methylsulfonylpiperazineCHEMBL1866940DTXSID60975765HMS2418G24
Show more names
SMSF0011769STK135533AKOS000548588CB05715BIM-0003922.P001ST45110106SR-01000475840SR-01000475840-1
Database identifiers
- CAS
6035-81-0- PubChem CID
- 786264
- DTXSID
DTXSID60975765- ChEMBL
CHEMBL1866940
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…