5-bromo-2-methyl-3-(piperidin-4-ylthio)-1H-indole

HCID 9905342

Notes Reactions

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Basic information

Standard SMILES: Cc1[nH]c2ccc(Br)cc2c1SC1CCNCC1
InChIKey: UBALTDVVCCDTNY-UHFFFAOYSA-N
Molecular formula: C14H17BrN2S
Average molar mass: 325.27 g/mol

Names & identifiers

Preferred name: 5-bromo-2-methyl-3-(piperidin-4-ylthio)-1H-indole
IUPAC: 5-bromo-2-methyl-3-piperidin-4-ylsulfanyl-1H-indole

Names & synonyms

CHEMBL355407SCHEMBL9175944UBALTDVVCCDTNY-UHFFFAOYSA-N5-bromo-2-methyl-3-(piperidin-4-ylthio) -1H-indole5-bromo-2-methyl-3-(piperidin-4-ylthio)-1H-indole

Database identifiers

PubChem CID: 9905342
ChEMBL: CHEMBL355407
Nikkaji: J1.292.905F

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 53.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 283

Related reactions

2 records

New reaction record

HRID 36886As productuspto-grants-1995_05

HRID 1034427As productuspto-grants-1994_05

Compound notes

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