N-tert-butyl-1,1,1-trifluoromethanesulfonamide

C5H10F3NO2S — CID 54432834

IUPACN-tert-butyl-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(2,3)9-12(10,11)5(6,7)8/h9H,1-3H3
InChIKeyNZYBCWVMVUUMRT-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.50
Rot. Bonds2

About N-tert-butyl-1,1,1-trifluoromethanesulfonamide

N-tert-butyl-1,1,1-trifluoromethanesulfonamide (PubChem CID 54432834) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is N-tert-butyl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1,1,1-trifluoromethanesulfonamide
PubChem CID54432834
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC NameN-tert-butyl-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(2,3)9-12(10,11)5(6,7)8/h9H,1-3H3
InChIKeyNZYBCWVMVUUMRT-UHFFFAOYSA-N
XLogP1.50
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity243

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide
CID 162621177
N-(2,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 177855038
Tert-butylazanium;trifluoromethanesulfonate
CID 20277130
N-tert-butyl-2,2,2-trifluoroethanesulfonamide
CID 21027127
N-tert-butyl-1,1-difluoromethanesulfonamide
CID 64541188
2-Methylpropan-2-amine;trifluoromethanesulfonic acid
CID 71816256
2,3-Dimethylbutan-2-amine;trifluoromethanesulfonamide
CID 87657307
2-Methylbutan-2-ylazanium;trifluoromethanesulfonate
CID 118876474
N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide
CID 130654356
N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide
CID 131067359
N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide
CID 146411779
N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide
CID 167420852

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-tert-butyl-1,1,1-trifluoromethanesulfonamide (CID 54432834) is N-tert-butyl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-tert-butyl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-tert-butyl-1,1,1-trifluoromethanesulfonamide is CC(C)(C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-tert-butyl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is NZYBCWVMVUUMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-4(2,3)9-12(10,11)5(6,7)8/h9H,1-3H3.
What are the key properties of N-tert-butyl-1,1,1-trifluoromethanesulfonamide?
N-tert-butyl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 205.20 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 54432834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).