3-Methyl-1-(pyridine-2-sulfonyl)-2,3,4,7-tetrahydro-1H-azepine

HCID 11630223
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Basic information

Standard SMILES
CC1CC=CCN(S(=O)(=O)c2ccccn2)C1
InChIKey
HMLVZLLDKBQVFU-UHFFFAOYSA-N
Molecular formula
C12H16N2O2S
Average molar mass
252.33 g/mol

Names & identifiers

Preferred name
3-Methyl-1-(pyridine-2-sulfonyl)-2,3,4,7-tetrahydro-1H-azepine
IUPAC
3-methyl-1-pyridin-2-ylsulfonyl-2,3,4,7-tetrahydroazepine

Names & synonyms

SCHEMBL4313186HMLVZLLDKBQVFU-UHFFFAOYSA-N3-METHYL-1-(PYRIDINE-2-SULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPINEAKOS015966108

Database identifiers

PubChem CID
11630223

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
58.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
17

Related reactions

6 records
New reaction record

Linked notes

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