N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide

C11H22F3NO2S — CID 58573076

IUPACN-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCC[C@@H](CN(CC(F)(F)F)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C11H22F3NO2S/c1-6-9(10(2,3)4)7-15(18(5,16)17)8-11(12,13)14/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyXLFFIXVVBKUIHC-VIFPVBQESA-N
MW289.36 g/mol
LogP2.88
Rot. Bonds5

About N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 58573076) has the molecular formula C11H22F3NO2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID58573076
Molecular FormulaC11H22F3NO2S
Molecular Weight289.36 g/mol
Exact Mass289.13
IUPAC NameN-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCC[C@@H](CN(CC(F)(F)F)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C11H22F3NO2S/c1-6-9(10(2,3)4)7-15(18(5,16)17)8-11(12,13)14/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyXLFFIXVVBKUIHC-VIFPVBQESA-N
XLogP2.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide
CID 18735753
N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 18735762
4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 20782490
4-Tert-butyl-1-(trifluoromethylsulfonyl)piperidine
CID 58394662
N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 58573607
N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 88872623
N-tert-butyl-N-[3-(fluoromethyl)-4,4-dimethylpentyl]methanesulfonamide
CID 88980747
N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 89877161
N-[(2S)-2-methylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 89877199
4-Methyl-1-methylsulfonyl-4-(trifluoromethyl)azepane
CID 91434914
3-Tert-butyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117878026
4-(2-Methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine
CID 126647929

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 58573076) is N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide is CC[C@@H](CN(CC(F)(F)F)S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is XLFFIXVVBKUIHC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22F3NO2S/c1-6-9(10(2,3)4)7-15(18(5,16)17)8-11(12,13)14/h9H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 58573076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).