(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione

C14H19NOS — CID 2957337

IUPAC(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione
SMILESCc1ccc(C(=S)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C14H19NOS/c1-10-4-6-13(7-5-10)14(17)15-8-11(2)16-12(3)9-15/h4-7,11-12H,8-9H2,1-3H3
InChIKeyDFDNXZXUIMJVLF-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.78
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione

(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione (PubChem CID 2957337) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione
PubChem CID2957337
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione
SMILESCc1ccc(C(=S)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C14H19NOS/c1-10-4-6-13(7-5-10)14(17)15-8-11(2)16-12(3)9-15/h4-7,11-12H,8-9H2,1-3H3
InChIKeyDFDNXZXUIMJVLF-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-fluorophenyl)methanethione
CID 930357
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione
CID 40963206
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-hydroxyphenyl)methanethione
CID 970795
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3-methoxyphenyl)methanethione
CID 135764170
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione
CID 40963220
2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
CID 4579108
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanethione
CID 40963230
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(4-hydroxy-3,5-dimethoxyphenyl)methanethione
CID 1264364
(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932969
N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide
CID 886437

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione (CID 2957337) is (2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione is Cc1ccc(C(=S)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione?
The InChIKey is DFDNXZXUIMJVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-10-4-6-13(7-5-10)14(17)15-8-11(2)16-12(3)9-15/h4-7,11-12H,8-9H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione?
(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione has a molecular weight of 249.38 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione is sourced from PubChem (CID 2957337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).