N-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide

C6H11F2NO2S — CID 167493874

IUPACN-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide
SMILESCC1(NS(C)(=O)=O)CC(F)(F)C1
InChIInChI=1S/C6H11F2NO2S/c1-5(9-12(2,10)11)3-6(7,8)4-5/h9H,3-4H2,1-2H3
InChIKeyWKQUFHFHZTZXCR-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.72
Rot. Bonds2

About N-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide

N-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide (PubChem CID 167493874) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is N-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide
PubChem CID167493874
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC NameN-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide
SMILESCC1(NS(C)(=O)=O)CC(F)(F)C1
InChIInChI=1S/C6H11F2NO2S/c1-5(9-12(2,10)11)3-6(7,8)4-5/h9H,3-4H2,1-2H3
InChIKeyWKQUFHFHZTZXCR-UHFFFAOYSA-N
XLogP0.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide
CID 162621177
N-tert-butyl-1,1-difluoromethanesulfonamide
CID 64541188
1,1-Difluoro-3-methyl-3-(sulfamoylamino)cyclobutane
CID 167493650
N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide
CID 167493938
N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide;ethane
CID 167494082
N-(3,3-difluoro-1-methylcyclobutyl)propane-2-sulfonamide
CID 170176054
1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide
CID 102232704
N-[1-(bromomethyl)cyclobutyl]-1,1-difluoromethanesulfonamide
CID 116366692
1,1-difluoro-N-(1-methylcyclobutyl)methanesulfonamide
CID 130884625
N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide
CID 131142353
N-[3-(trifluoromethyl)cyclobutyl]methanesulfonamide
CID 131182838
N-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide
CID 131207237

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide?
The IUPAC name of N-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide (CID 167493874) is N-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide.
What is the SMILES notation for N-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide?
The canonical SMILES for N-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide is CC1(NS(C)(=O)=O)CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide?
The InChIKey is WKQUFHFHZTZXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-5(9-12(2,10)11)3-6(7,8)4-5/h9H,3-4H2,1-2H3.
What are the key properties of N-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide?
N-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide has a molecular weight of 199.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-1-methylcyclobutyl)methanesulfonamide is sourced from PubChem (CID 167493874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).