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

C14H19NO3S — CID 135764170

IUPAC[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione
SMILESCOc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)ccc1O
InChIInChI=1S/C14H19NO3S/c1-9-7-15(8-10(2)18-9)14(19)11-4-5-12(16)13(6-11)17-3/h4-6,9-10,16H,7-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyHVQPQJWMTRZLQJ-UWVGGRQHSA-N
MW281.38 g/mol
LogP2.19
Rot. Bonds2

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

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione (PubChem CID 135764170) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione
PubChem CID135764170
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione
SMILESCOc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)ccc1O
InChIInChI=1S/C14H19NO3S/c1-9-7-15(8-10(2)18-9)14(19)11-4-5-12(16)13(6-11)17-3/h4-6,9-10,16H,7-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyHVQPQJWMTRZLQJ-UWVGGRQHSA-N
XLogP2.19
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(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-chloro-4-hydroxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanethione
CID 137022081
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione
CID 40963220
N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]-3,4-dimethoxybenzamide
CID 1242393
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-hydroxyphenyl)methanethione
CID 970795
(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione
CID 2957337
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-fluorophenyl)methanethione
CID 930357
N-benzyl-2-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]-2-methoxyphenoxy]acetamide
CID 126241124
2-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126232347
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione
CID 40963206

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione?
The IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione (CID 135764170) is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione.
What is the SMILES notation for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione?
The canonical SMILES for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione is COc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)ccc1O.
What is the InChIKey of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione?
The InChIKey is HVQPQJWMTRZLQJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9-7-15(8-10(2)18-9)14(19)11-4-5-12(16)13(6-11)17-3/h4-6,9-10,16H,7-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione?
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione has a molecular weight of 281.38 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione is sourced from PubChem (CID 135764170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).