5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol

C14H21NO2S — CID 84594406

IUPAC5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CC(C)SC(C)C2)cc1O
InChIInChI=1S/C14H21NO2S/c1-10-7-15(8-11(2)18-10)9-12-4-5-14(17-3)13(16)6-12/h4-6,10-11,16H,7-9H2,1-3H3
InChIKeyGFRPEDIKWVUEPY-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.73
Rot. Bonds3

About 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol

5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol (PubChem CID 84594406) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol
PubChem CID84594406
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CC(C)SC(C)C2)cc1O
InChIInChI=1S/C14H21NO2S/c1-10-7-15(8-11(2)18-10)9-12-4-5-14(17-3)13(16)6-12/h4-6,10-11,16H,7-9H2,1-3H3
InChIKeyGFRPEDIKWVUEPY-UHFFFAOYSA-N
XLogP2.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methoxyphenol
CID 82982928
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120909606
1-[(3-hydroxy-4-methoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65071834
2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
CID 82983417
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65340377
5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol
CID 113346191
2-methoxy-5-[(4-propylpiperazin-1-yl)methyl]phenol
CID 115280838
5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol
CID 70709010
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
2-methoxy-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenol
CID 102746757
(3S,4R)-4-(4-fluorophenyl)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 70731942
(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
CID 784275

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol (CID 84594406) is 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol is COc1ccc(CN2CC(C)SC(C)C2)cc1O.
What is the InChIKey of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol?
The InChIKey is GFRPEDIKWVUEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-7-15(8-11(2)18-10)9-12-4-5-14(17-3)13(16)6-12/h4-6,10-11,16H,7-9H2,1-3H3.
What are the key properties of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol?
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol has a molecular weight of 267.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol is sourced from PubChem (CID 84594406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).