A1AJ6

N-(piperidin-4-yl)methanesulfonamide

Created:	2024-04-03
Last modified:	2024-05-08

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1 entries where A1AJ6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	0

2D diagram of A1AJ6

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Chemical Component Summary
Name	N-(piperidin-4-yl)methanesulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-piperidin-4-ylmethanesulfonamide
Formula	C₆ H₁₄ N₂ O₂ S
Molecular Weight	178.253
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(C)(=O)NC1CCNCC1
SMILES	CACTVS	3.385	C[S](=O)(=O)NC1CCNCC1
SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)NC1CCNCC1
Canonical SMILES	CACTVS	3.385	C[S](=O)(=O)NC1CCNCC1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)NC1CCNCC1
InChI	InChI	1.06	InChI=1S/C6H14N2O2S/c1-11(9,10)8-6-2-4-7-5-3-6/h6-8H,2-5H2,1H3
InChIKey	InChI	1.06	NAEICDPYHCEZMG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	16227261

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.