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Piperidine-1-sulfonic acid (6-propyl-pyridin-2-yl)-amide

HCID 11608902
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCc1cccc(NS(=O)(=O)N2CCCCC2)n1
InChIKey
JCMFKRQMXVGAHA-UHFFFAOYSA-N
Molecular formula
C13H21N3O2S
Average molar mass
283.39 g/mol

Names & identifiers

Preferred name
Piperidine-1-sulfonic acid (6-propyl-pyridin-2-yl)-amide
IUPAC
N-(6-propyl-2-pyridinyl)piperidine-1-sulfonamide

Names & synonyms

JCMFKRQMXVGAHA-UHFFFAOYSA-Npiperidine-1-sulfonic acid (6-propyl-pyridin-2-yl)-amide

Database identifiers

PubChem CID
11608902

Properties

Computed structural propertiesFilling in

XLogP
2.1
Topological polar surface area
70.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
361

Related reactions

2 records
New reaction record
HRID 1127250 reaction equation
HRID 1127250As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1454807 reaction equation
HRID 1454807As productuspto-grants-2009_01

Compound notes

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