A1A3S

N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide

Created:	2024-08-29
Last modified:	2024-11-06

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2 entries where A1A3S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	0

2D diagram of A1A3S

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Chemical Component Summary
Name	N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-methyl-~{N}-(2-oxidanylidene-2-piperidin-1-yl-ethyl)methanesulfonamide
Formula	C₉ H₁₈ N₂ O₃ S
Molecular Weight	234.316
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(CN(C)S(C)(=O)=O)N1CCCCC1
SMILES	CACTVS	3.385	CN(CC(=O)N1CCCCC1)[S](C)(=O)=O
SMILES	OpenEye OEToolkits	3.1.0.0	CN(CC(=O)N1CCCCC1)S(=O)(=O)C
Canonical SMILES	CACTVS	3.385	CN(CC(=O)N1CCCCC1)[S](C)(=O)=O
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CN(CC(=O)N1CCCCC1)S(=O)(=O)C
InChI	InChI	1.06	InChI=1S/C9H18N2O3S/c1-10(15(2,13)14)8-9(12)11-6-4-3-5-7-11/h3-8H2,1-2H3
InChIKey	InChI	1.06	CPSZUJVUZDHXHY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	30464585

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.