NSJ

3-[(thiomorpholin-4-yl)methyl]phenol

Created:	2019-05-28
Last modified:	2019-08-07

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2 entries where NSJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

2D diagram of NSJ

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Chemical Component Summary
Name	3-[(thiomorpholin-4-yl)methyl]phenol
Systematic Name (OpenEye OEToolkits)	3-(thiomorpholin-4-ylmethyl)phenol
Formula	C₁₁ H₁₅ N O S
Molecular Weight	209.308
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(CCSCC1)Cc2cccc(c2)O
SMILES	CACTVS	3.385	Oc1cccc(CN2CCSCC2)c1
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)O)CN2CCSCC2
Canonical SMILES	CACTVS	3.385	Oc1cccc(CN2CCSCC2)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)O)CN2CCSCC2
InChI	InChI	1.03	InChI=1S/C11H15NOS/c13-11-3-1-2-10(8-11)9-12-4-6-14-7-5-12/h1-3,8,13H,4-7,9H2
InChIKey	InChI	1.03	NSDQSEGFFDPDRA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	763337

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.