5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one

C18H25NO2S — CID 101257205

IUPAC5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one
SMILESCC1(C)CNC(=O)OC1C1(Sc2ccccc2)CCCCC1
InChIInChI=1S/C18H25NO2S/c1-17(2)13-19-16(20)21-15(17)18(11-7-4-8-12-18)22-14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3,(H,19,20)
InChIKeyPBBGTWVGFOYQBS-UHFFFAOYSA-N
MW319.47 g/mol
LogP4.62
Rot. Bonds3

About 5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one

5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one (PubChem CID 101257205) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is 5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one
PubChem CID101257205
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC Name5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one
SMILESCC1(C)CNC(=O)OC1C1(Sc2ccccc2)CCCCC1
InChIInChI=1S/C18H25NO2S/c1-17(2)13-19-16(20)21-15(17)18(11-7-4-8-12-18)22-14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3,(H,19,20)
InChIKeyPBBGTWVGFOYQBS-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one with MolForge

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Related Compounds

(3R,4R)-4-hydroxy-3-methyl-3-phenylsulfanyl-1-oxaspiro[4.5]decan-2-one
CID 23253915
2,2-bis(phenylsulfanyl)oxane
CID 14100930
2-(1-phenylsulfanylcyclopropyl)cyclobutan-1-one
CID 134987716
(1-cyclopropylcyclopropyl)sulfanylbenzene
CID 10774057
6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one
CID 121207290
(6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one
CID 129497488
2-phenylsulfanyl-1-oxaspiro[2.5]octane
CID 15576573
2,2-bis(phenylsulfanyl)cyclohexan-1-one
CID 15577924
(1S)-4,4-dimethyl-1-phenyl-2-oxaspiro[5.5]undecane-3,5-dione
CID 706721
(3R,4S)-3-methyl-4-phenylsulfanyl-1-oxaspiro[4.6]undecane
CID 11076707
5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 69403978
2-phenylsulfanylspiro[3.5]nonane-2-carboxylic acid
CID 65142377

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one?
The IUPAC name of 5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one (CID 101257205) is 5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one?
The canonical SMILES for 5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one is CC1(C)CNC(=O)OC1C1(Sc2ccccc2)CCCCC1.
What is the InChIKey of 5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one?
The InChIKey is PBBGTWVGFOYQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c1-17(2)13-19-16(20)21-15(17)18(11-7-4-8-12-18)22-14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3,(H,19,20).
What are the key properties of 5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one?
5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one has a molecular weight of 319.47 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6-(1-phenylsulfanylcyclohexyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 101257205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).