LPU

1-(methanesulfonyl)piperidin-4-ol

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

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4 entries where LPU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	0

2D diagram of LPU

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Chemical Component Summary
Name	1-(methanesulfonyl)piperidin-4-ol
Systematic Name (OpenEye OEToolkits)	1-methylsulfonylpiperidin-4-ol
Formula	C₆ H₁₃ N O₃ S
Molecular Weight	179.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC1CCN(CC1)S(=O)(C)=O
SMILES	CACTVS	3.385	C[S](=O)(=O)N1CCC(O)CC1
SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)N1CCC(CC1)O
Canonical SMILES	CACTVS	3.385	C[S](=O)(=O)N1CCC(O)CC1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)N1CCC(CC1)O
InChI	InChI	1.03	InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
InChIKey	InChI	1.03	UPEFDWJLNXWMOW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	22272981

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.