N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide

C5H10F3NO2S — CID 131142353

IUPACN-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(2,5(6,7)8)9-12(3,10)11/h9H,1-3H3
InChIKeyNMBFHODYUILCIP-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.88
Rot. Bonds2

About N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide

N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide (PubChem CID 131142353) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide
PubChem CID131142353
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC NameN-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(2,5(6,7)8)9-12(3,10)11/h9H,1-3H3
InChIKeyNMBFHODYUILCIP-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butylmethanesulfonamide
CID 4130162
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-1,1,1-trifluoromethanesulfonamide
CID 54432834
N-tert-butyl-1,1-difluoromethanesulfonamide
CID 64541188
2-Methylpropan-2-amine;trifluoromethanesulfonic acid
CID 71816256
2-Methylbutan-2-ylazanium;trifluoromethanesulfonate
CID 118876474
N-tert-butyl-1-fluoroethanesulfonamide
CID 130208651
N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide
CID 130654356
N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide
CID 131067359

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide?
The IUPAC name of N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide (CID 131142353) is N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide is CC(C)(NS(C)(=O)=O)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide?
The InChIKey is NMBFHODYUILCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-4(2,5(6,7)8)9-12(3,10)11/h9H,1-3H3.
What are the key properties of N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide?
N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide has a molecular weight of 205.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 131142353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).