Basic information
- CAS
201038-99-5- Standard SMILES
Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CCN2CCN(C)CC2)c1- InChIKey
VNGFIEUXDGCEED-QGZVFWFLSA-N- Molecular formula
- C18H29N3O2S
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.19804835
Names & identifiers
- Preferred name
- 1-methyl-4-[2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperazine
- IUPAC
- 1-methyl-4-[2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperazine
- English name
- 4-METHYL-1-(2-[(R)-1-(TOLUENE-3-SULFONYL)-PYRROLIDIN-2-YL]-ETHYL)-PIPERIDINE HYDROCHLORIDE
- Molecular formula
- C18H29N3O2S
- Molecular weight
- 351.51
Names & synonyms
SB 258741 HYDROCHLORIDEPiperazine, 1-methyl-4-[2-[(2R)-1-[(3-methylphenyl)sulfonyl]-2-pyrrolidinyl]ethyl]-4-METHYL-1-(2-[(R)-1-(TOLUENE-3-SULFONYL)-PYRROLIDIN-2-YL]-ETHYL)-PIPERIDINE HYDROCHLORIDEPYRROLIDINE, 1-[(3-METHYLPHENYL)SULFONYL]-2-[2-(4-METHYL-1-PIPERAZINYL)ETHYL]-, HYDROCHLORIDE, (R)-
Database identifiers
- CAS
201038-99-5- PubChem CID
- 56972137
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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