LJR

1-cyclohexyl-N-methylmethanesulfonamide

Created:	2022-03-04
Last modified:	2022-03-16

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3 entries where LJR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	0

2D diagram of LJR

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Chemical Component Summary
Name	1-cyclohexyl-N-methylmethanesulfonamide
Systematic Name (OpenEye OEToolkits)	1-cyclohexyl-~{N}-methyl-methanesulfonamide
Formula	C₈ H₁₇ N O₂ S
Molecular Weight	191.291
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(CC1CCCCC1)NC
SMILES	CACTVS	3.385	CN[S](=O)(=O)CC1CCCCC1
SMILES	OpenEye OEToolkits	2.0.7	CNS(=O)(=O)CC1CCCCC1
Canonical SMILES	CACTVS	3.385	CN[S](=O)(=O)CC1CCCCC1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNS(=O)(=O)CC1CCCCC1
InChI	InChI	1.03	InChI=1S/C8H17NO2S/c1-9-12(10,11)7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3
InChIKey	InChI	1.03	PFWYRMPHHJKJBB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	19877943

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.