N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide

C7H14F3NO2S — CID 166024449

IUPACN-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide
SMILESCC(C)C(N(C)S(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-5(2)6(7(8,9)10)11(3)14(4,12)13/h5-6H,1-4H3
InChIKeyQPQGXJHKNSGQNX-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.46
Rot. Bonds3

About N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide

N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide (PubChem CID 166024449) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide
PubChem CID166024449
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC NameN-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide
SMILESCC(C)C(N(C)S(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-5(2)6(7(8,9)10)11(3)14(4,12)13/h5-6H,1-4H3
InChIKeyQPQGXJHKNSGQNX-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide
CID 14663454
(2S)-2-propan-2-yl-1-(trifluoromethylsulfonyl)aziridine
CID 12022731
2-(Propan-2-yl)-1-(trifluoromethanesulfonyl)aziridine
CID 23251553
N-(2,2-difluoroethyl)-N-propan-2-ylmethanesulfonamide
CID 57908245
1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide
CID 58435937
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 60766791
N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 64586295
(2R)-2-propan-2-yl-1-(trifluoromethylsulfonyl)aziridine
CID 87665109
N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 89877161
N-[(2S)-2-methylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 89877199
1,1,1-trifluoro-N-methyl-N-(3-methylbutyl)methanesulfonamide
CID 118301706
N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide
CID 126630314

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide?
The IUPAC name of N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide (CID 166024449) is N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide?
The canonical SMILES for N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide is CC(C)C(N(C)S(C)(=O)=O)C(F)(F)F.
What is the InChIKey of N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide?
The InChIKey is QPQGXJHKNSGQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-5(2)6(7(8,9)10)11(3)14(4,12)13/h5-6H,1-4H3.
What are the key properties of N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide?
N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide has a molecular weight of 233.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 166024449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).