[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione

C16H23NOS — CID 40963206

IUPAC[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione
SMILESCC(C)c1ccc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C16H23NOS/c1-11(2)14-5-7-15(8-6-14)16(19)17-9-12(3)18-13(4)10-17/h5-8,11-13H,9-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyQOFHQLDEVVBGJQ-STQMWFEESA-N
MW277.43 g/mol
LogP3.59
Rot. Bonds2

About [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione (PubChem CID 40963206) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione
PubChem CID40963206
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione
SMILESCC(C)c1ccc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C16H23NOS/c1-11(2)14-5-7-15(8-6-14)16(19)17-9-12(3)18-13(4)10-17/h5-8,11-13H,9-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyQOFHQLDEVVBGJQ-STQMWFEESA-N
XLogP3.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.59
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

(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methanethione
CID 2957337
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-fluorophenyl)methanethione
CID 930357
2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760
1-(2,6-dimethylmorpholin-4-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 25236981
[(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
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 46790142
bis(4-fluorophenyl)methyl (2R,6R)-2,6-dimethylmorpholine-4-carbodithioate
CID 1032637
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanethione
CID 40963230

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione?
The IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione (CID 40963206) is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione.
What is the SMILES notation for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione?
The canonical SMILES for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione is CC(C)c1ccc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione?
The InChIKey is QOFHQLDEVVBGJQ-STQMWFEESA-N. The full InChI is InChI=1S/C16H23NOS/c1-11(2)14-5-7-15(8-6-14)16(19)17-9-12(3)18-13(4)10-17/h5-8,11-13H,9-10H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione?
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione has a molecular weight of 277.43 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-propan-2-ylphenyl)methanethione is sourced from PubChem (CID 40963206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).