3-(8-Azabicyclo[3.2.1]octan-8-yl)sulfonyl-1-dimethylcarbamoyl-1H-1,2,4-triazole

HCID 58905454
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)C(=O)n1cnc(S(=O)(=O)N2C3CCCC2CC3)n1
InChIKey
YRTXAJYLBFKKDQ-UHFFFAOYSA-N
Molecular formula
C12H19N5O3S
Average molar mass
313.38 g/mol

Names & identifiers

Preferred name
3-(8-Azabicyclo[3.2.1]octan-8-yl)sulfonyl-1-dimethylcarbamoyl-1H-1,2,4-triazole
IUPAC
3-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-carboxamide

Names & synonyms

SCHEMBL5382766YRTXAJYLBFKKDQ-UHFFFAOYSA-N3-(8-Azabicyclo[3.2.1]octan-8-yl)sulfonyl-1-dimethylcarbamoyl-1H-1,2,4-triazole

Database identifiers

PubChem CID
58905454

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
96.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
21

Related reactions

2 records
New reaction record

Linked notes

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