N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide

C13H27F3N2O2S — CID 88991704

IUPACN-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide
SMILESCCN(CCN(CC(F)(F)F)C(C)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C13H27F3N2O2S/c1-7-18(21(6,19)20)9-8-17(10-13(14,15)16)11(2)12(3,4)5/h11H,7-10H2,1-6H3
InChIKeyFTSLVDPCFRBJMK-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.57
Rot. Bonds7

About N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide

N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide (PubChem CID 88991704) has the molecular formula C13H27F3N2O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide
PubChem CID88991704
Molecular FormulaC13H27F3N2O2S
Molecular Weight332.43 g/mol
Exact Mass332.17
IUPAC NameN-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide
SMILESCCN(CCN(CC(F)(F)F)C(C)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C13H27F3N2O2S/c1-7-18(21(6,19)20)9-8-17(10-13(14,15)16)11(2)12(3,4)5/h11H,7-10H2,1-6H3
InChIKeyFTSLVDPCFRBJMK-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(diethylamino)-3,3-dimethylbutan-2-yl]azanium;trifluoromethanesulfonate
CID 176437209
N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 70938622
N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide
CID 88980557
N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2-fluoroethyl)amino]ethyl]methanesulfonamide
CID 88980564
N-tert-butyl-N-[2-[2,2-difluoroethyl(3,3-dimethylbutan-2-yl)amino]ethyl]methanesulfonamide
CID 88980569
N-tert-butyl-N-[2-[[(2S)-3,3-dimethylbutan-2-yl]-(2-fluoroethyl)amino]ethyl]methanesulfonamide
CID 88980790
N-tert-butyl-N-[2-[2,2-difluoroethyl-[(2S)-3,3-dimethylbutan-2-yl]amino]ethyl]methanesulfonamide
CID 88980791
N-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide
CID 88991597
N-tert-butyl-N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 88991668
N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(trifluoromethyl)amino]ethyl]methanesulfonamide
CID 89118218
N-tert-butyl-N-[[4-(2,2-difluoroethyl)-1-(3,3-dimethylbutan-2-yl)piperazin-2-yl]methyl]methanesulfonamide
CID 89118219
N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]-N-methylmethanesulfonamide
CID 89901736

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide (CID 88991704) is N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide is CCN(CCN(CC(F)(F)F)C(C)C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide?
The InChIKey is FTSLVDPCFRBJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2O2S/c1-7-18(21(6,19)20)9-8-17(10-13(14,15)16)11(2)12(3,4)5/h11H,7-10H2,1-6H3.
What are the key properties of N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide?
N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 88991704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).