[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione

C14H19NO2S — CID 40963220

IUPAC[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione
SMILESCOc1cccc(C(=S)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C14H19NO2S/c1-10-8-15(9-11(2)17-10)14(18)12-5-4-6-13(7-12)16-3/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyOCKWJVKOZJXHLW-QWRGUYRKSA-N
MW265.38 g/mol
LogP2.48
Rot. Bonds2

About [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione (PubChem CID 40963220) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione
PubChem CID40963220
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione
SMILESCOc1cccc(C(=S)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C14H19NO2S/c1-10-8-15(9-11(2)17-10)14(18)12-5-4-6-13(7-12)16-3/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyOCKWJVKOZJXHLW-QWRGUYRKSA-N
XLogP2.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-hydroxyphenyl)methanethione
CID 970795
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
CID 102937854
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione
CID 135764170
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3,5-dimethoxyphenyl)methanethione
CID 1264364
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanethione
CID 40963230
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
2-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanethioamide
CID 84758159
(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione
CID 2957337
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-fluorophenyl)methanethione
CID 930357
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108900892

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione?
The IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione (CID 40963220) is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione.
What is the SMILES notation for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione?
The canonical SMILES for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione is COc1cccc(C(=S)N2C[C@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione?
The InChIKey is OCKWJVKOZJXHLW-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10-8-15(9-11(2)17-10)14(18)12-5-4-6-13(7-12)16-3/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione?
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione has a molecular weight of 265.38 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione is sourced from PubChem (CID 40963220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).