MJ4

(2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol

Created:	2019-04-04
Last modified:	2020-04-29

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2 entries where MJ4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	5

2D diagram of MJ4

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Chemical Component Summary
Name	(2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
Systematic Name (OpenEye OEToolkits)	(2~{R})-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
Formula	C₉ H₁₅ N O S
Molecular Weight	185.286
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(CC(C)O)Cc1ccc(s1)C
SMILES	CACTVS	3.385	C[CH](O)CNCc1sc(C)cc1
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(s1)CNCC(C)O
Canonical SMILES	CACTVS	3.385	C[C@@H](O)CNCc1sc(C)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(s1)CNC[C@@H](C)O
InChI	InChI	1.03	InChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m1/s1
InChIKey	InChI	1.03	JLVFMHMDKADIAM-SSDOTTSWSA-N

Related Resource References

Resource Name	Reference
PubChem	834206

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.