BioLiP

PDB

BioLiP

PDB CCD ID:

A1A3S

Number of entries in BioLiP:

Chemical formula:

C9 H18 N2 O3 S

InChI:

InChI=1S/C9H18N2O3S/c1-10(15(2,13)14)8-9(12)11-6-4-3-5-7-11/h3-8H2,1-2H3

InChIKey:

CPSZUJVUZDHXHY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CN(CC(=O)N1CCCCC1)S(=O)(=O)C
CACTVS 3.385	CN(CC(=O)N1CCCCC1)[S](C)(=O)=O
ACDLabs 14.52	O=C(CN(C)S(C)(=O)=O)N1CCCCC1

Name:

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

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).