N-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide

C14H17F3N2O4S — CID 66709448

IUPACN-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1(C)CC(=O)N(Cc2ccccc2NS(=O)(=O)C(F)(F)F)CO1
InChIInChI=1S/C14H17F3N2O4S/c1-13(2)7-12(20)19(9-23-13)8-10-5-3-4-6-11(10)18-24(21,22)14(15,16)17/h3-6,18H,7-9H2,1-2H3
InChIKeyFDJVUOXTWGJAND-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.43
Rot. Bonds4

About N-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide

N-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 66709448) has the molecular formula C14H17F3N2O4S and a molecular weight of 366.36 g/mol. Its IUPAC name is N-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID66709448
Molecular FormulaC14H17F3N2O4S
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC NameN-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1(C)CC(=O)N(Cc2ccccc2NS(=O)(=O)C(F)(F)F)CO1
InChIInChI=1S/C14H17F3N2O4S/c1-13(2)7-12(20)19(9-23-13)8-10-5-3-4-6-11(10)18-24(21,22)14(15,16)17/h3-6,18H,7-9H2,1-2H3
InChIKeyFDJVUOXTWGJAND-UHFFFAOYSA-N
XLogP2.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide (CID 66709448) is N-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide is CC1(C)CC(=O)N(Cc2ccccc2NS(=O)(=O)C(F)(F)F)CO1.
What is the InChIKey of N-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is FDJVUOXTWGJAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4S/c1-13(2)7-12(20)19(9-23-13)8-10-5-3-4-6-11(10)18-24(21,22)14(15,16)17/h3-6,18H,7-9H2,1-2H3.
What are the key properties of N-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 366.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6,6-dimethyl-4-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 66709448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).