N-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane

C9H20F3NO2S — CID 165393849

IUPACN-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane
SMILESCC.CC(NS(=O)(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C7H14F3NO2S.C2H6/c1-5(6(2,3)4)11-14(12,13)7(8,9)10;1-2/h5,11H,1-4H3;1-2H3
InChIKeyBQEIURFPYUIBFE-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.89
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane

N-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane (PubChem CID 165393849) has the molecular formula C9H20F3NO2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane
PubChem CID165393849
Molecular FormulaC9H20F3NO2S
Molecular Weight263.32 g/mol
Exact Mass263.12
IUPAC NameN-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane
SMILESCC.CC(NS(=O)(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C7H14F3NO2S.C2H6/c1-5(6(2,3)4)11-14(12,13)7(8,9)10;1-2/h5,11H,1-4H3;1-2H3
InChIKeyBQEIURFPYUIBFE-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide
CID 11345967
1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
CID 101913204
2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide
CID 134920582
N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 134964932
N-[(2R)-3,3-dimethylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 176436279
1,1,1-trifluoro-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 176436281
N-(3,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 58468956
2-Methyl-propane-2-sulfinic acid ((S)-3,3,3-trifluoro-1,2,2-trimethyl-propyl)-amide
CID 86659432
N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide
CID 87159674
(S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide
CID 123749641
N-(2-ethyl-2-methylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 164021219
ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
CID 165393903

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane (CID 165393849) is N-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane is CC.CC(NS(=O)(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane?
The InChIKey is BQEIURFPYUIBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S.C2H6/c1-5(6(2,3)4)11-14(12,13)7(8,9)10;1-2/h5,11H,1-4H3;1-2H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane?
N-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane has a molecular weight of 263.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane is sourced from PubChem (CID 165393849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).