(5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione

C11H14N2OS — CID 11117641

IUPAC(5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=S)NN1C
InChIInChI=1S/C11H14N2OS/c1-8-10(9-6-4-3-5-7-9)14-11(15)12-13(8)2/h3-8,10H,1-2H3,(H,12,15)/t8-,10-/m0/s1
InChIKeyVYIKIENZFPUYTQ-WPRPVWTQSA-N
MW222.31 g/mol
LogP1.87
Rot. Bonds1

About (5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione

(5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione (PubChem CID 11117641) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is (5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione.

Molecular Properties

Compound Name(5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione
PubChem CID11117641
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name(5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=S)NN1C
InChIInChI=1S/C11H14N2OS/c1-8-10(9-6-4-3-5-7-9)14-11(15)12-13(8)2/h3-8,10H,1-2H3,(H,12,15)/t8-,10-/m0/s1
InChIKeyVYIKIENZFPUYTQ-WPRPVWTQSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione with MolForge

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Related Compounds

(5S,6R)-4-(2,2-dimethylpropyl)-5-methyl-6-phenyl-1,3,4-oxadiazinane-2-thione
CID 10858834
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
(5S,6R)-5-methyl-6-phenyl-4-(2-phenylethyl)-1,3,4-oxadiazinan-2-one
CID 11120016
(2R,3R)-3,4-dimethyl-2-phenyl-1,4-oxazepane-5,7-dione
CID 22216391
4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one
CID 19370117
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
2,3,4-trimethyl-5-phenyl-1,3,2-oxazaborolidine
CID 599876
2,2,3,4-tetramethyl-5-phenyl-1,3-oxazolidine
CID 68632441
(3S,4S)-1,3-dimethyl-4-phenylazetidine-2-thione
CID 15324830
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 57349112

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione?
The IUPAC name of (5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione (CID 11117641) is (5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione.
What is the SMILES notation for (5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione?
The canonical SMILES for (5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione is C[C@H]1[C@@H](c2ccccc2)OC(=S)NN1C.
What is the InChIKey of (5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione?
The InChIKey is VYIKIENZFPUYTQ-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-10(9-6-4-3-5-7-9)14-11(15)12-13(8)2/h3-8,10H,1-2H3,(H,12,15)/t8-,10-/m0/s1.
What are the key properties of (5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione?
(5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione has a molecular weight of 222.31 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinane-2-thione is sourced from PubChem (CID 11117641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).