(R)-3-Amino-1-(1-amino-4-bromo-5-isoquinolinesulfonyl)pyrrolidine
Basic information
- Standard SMILES
Nc1ncc(Br)c2c(S(=O)(=O)N3CC[C@@H](N)C3)cccc12- InChIKey
QYVRBDIZIVJSAJ-MRVPVSSYSA-N- Molecular formula
- C13H15BrN4O2S
- Average molar mass
- 371.26 g/mol
- Monoisotopic mass
- 370.00991
Names & identifiers
- Preferred name
- (R)-3-Amino-1-(1-amino-4-bromo-5-isoquinolinesulfonyl)pyrrolidine
- IUPAC
- 5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-4-bromoisoquinolin-1-amine
Names & synonyms
SCHEMBL2001653QYVRBDIZIVJSAJ-MRVPVSSYSA-N(R)-3-Amino-1-(1-amino-4-bromo-5-isoquinolinesulfonyl)pyrrolidine
Database identifiers
- PubChem CID
- 67243451
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 483
Related reactions
2 records
Compound notes
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