(6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine

C17H17NOS — CID 138975380

IUPAC(6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine
SMILESC[C@@H]1CC(c2ccccc2)N=C(Sc2ccccc2)O1
InChIInChI=1S/C17H17NOS/c1-13-12-16(14-8-4-2-5-9-14)18-17(19-13)20-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16?/m1/s1
InChIKeyVYKPCLHWTVAQKR-JBZHPUCOSA-N
MW283.40 g/mol
LogP4.68
Rot. Bonds2

About (6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine

(6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 138975380) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is (6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name(6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID138975380
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name(6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine
SMILESC[C@@H]1CC(c2ccccc2)N=C(Sc2ccccc2)O1
InChIInChI=1S/C17H17NOS/c1-13-12-16(14-8-4-2-5-9-14)18-17(19-13)20-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16?/m1/s1
InChIKeyVYKPCLHWTVAQKR-JBZHPUCOSA-N
XLogP4.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 132508766
4-Phenyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 132508767

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of (6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine (CID 138975380) is (6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for (6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for (6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine is C[C@@H]1CC(c2ccccc2)N=C(Sc2ccccc2)O1.
What is the InChIKey of (6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is VYKPCLHWTVAQKR-JBZHPUCOSA-N. The full InChI is InChI=1S/C17H17NOS/c1-13-12-16(14-8-4-2-5-9-14)18-17(19-13)20-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16?/m1/s1.
What are the key properties of (6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine?
(6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 283.40 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 138975380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).