4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine

C15H21NOS — CID 70553981

IUPAC4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine
SMILESCC1CC(C)(C)N=C(CCSc2ccccc2)O1
InChIInChI=1S/C15H21NOS/c1-12-11-15(2,3)16-14(17-12)9-10-18-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyZVPZCVPUOPTWTM-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.15
Rot. Bonds4

About 4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine

4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine (PubChem CID 70553981) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine
PubChem CID70553981
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine
SMILESCC1CC(C)(C)N=C(CCSc2ccccc2)O1
InChIInChI=1S/C15H21NOS/c1-12-11-15(2,3)16-14(17-12)9-10-18-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyZVPZCVPUOPTWTM-UHFFFAOYSA-N
XLogP4.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine?
The IUPAC name of 4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine (CID 70553981) is 4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine is CC1CC(C)(C)N=C(CCSc2ccccc2)O1.
What is the InChIKey of 4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine?
The InChIKey is ZVPZCVPUOPTWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12-11-15(2,3)16-14(17-12)9-10-18-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3.
What are the key properties of 4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine?
4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine has a molecular weight of 263.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2-(2-phenylsulfanylethyl)-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 70553981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).