N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide

C15H31F3N2O2S — CID 88980557

IUPACN-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide
SMILESCC(N(CCN(C(C)(C)C)S(C)(=O)=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H31F3N2O2S/c1-12(13(2,3)4)19(11-15(16,17)18)9-10-20(14(5,6)7)23(8,21)22/h12H,9-11H2,1-8H3
InChIKeyUKGCGVCCUKOFSG-UHFFFAOYSA-N
MW360.49 g/mol
LogP3.35
Rot. Bonds6

About N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide

N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide (PubChem CID 88980557) has the molecular formula C15H31F3N2O2S and a molecular weight of 360.49 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide
PubChem CID88980557
Molecular FormulaC15H31F3N2O2S
Molecular Weight360.49 g/mol
Exact Mass360.21
IUPAC NameN-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide
SMILESCC(N(CCN(C(C)(C)C)S(C)(=O)=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H31F3N2O2S/c1-12(13(2,3)4)19(11-15(16,17)18)9-10-20(14(5,6)7)23(8,21)22/h12H,9-11H2,1-8H3
InChIKeyUKGCGVCCUKOFSG-UHFFFAOYSA-N
XLogP3.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide (CID 88980557) is N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide is CC(N(CCN(C(C)(C)C)S(C)(=O)=O)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide?
The InChIKey is UKGCGVCCUKOFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F3N2O2S/c1-12(13(2,3)4)19(11-15(16,17)18)9-10-20(14(5,6)7)23(8,21)22/h12H,9-11H2,1-8H3.
What are the key properties of N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide?
N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide has a molecular weight of 360.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[3,3-dimethylbutan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 88980557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).