N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide

C6H11F2NO2S — CID 167493676

IUPACN-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide
SMILESCN(C1CC(F)(F)C1)S(C)(=O)=O
InChIInChI=1S/C6H11F2NO2S/c1-9(12(2,10)11)5-3-6(7,8)4-5/h5H,3-4H2,1-2H3
InChIKeyJHXUTCWCPKDWAY-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.68
Rot. Bonds2

About N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide

N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide (PubChem CID 167493676) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide
PubChem CID167493676
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC NameN-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide
SMILESCN(C1CC(F)(F)C1)S(C)(=O)=O
InChIInChI=1S/C6H11F2NO2S/c1-9(12(2,10)11)5-3-6(7,8)4-5/h5H,3-4H2,1-2H3
InChIKeyJHXUTCWCPKDWAY-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.68
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
N-(2,2-difluoroethyl)-N-propan-2-ylmethanesulfonamide
CID 57908245
1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide
CID 58435937
N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 63932239
N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 64586295
N-butyl-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 88559723
N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide
CID 126630314
1-Methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine
CID 129248463
N-cyclobutyl-N-(3,3-difluorocyclobutyl)methanesulfonamide
CID 142795381
N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide
CID 164821552
1,1,1-trifluoro-N-methyl-N-pentan-3-ylmethanesulfonamide
CID 167105593
N-(3,3-difluorocyclobutyl)-N-methylpropane-2-sulfonamide
CID 168726759

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide (CID 167493676) is N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide is CN(C1CC(F)(F)C1)S(C)(=O)=O.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide?
The InChIKey is JHXUTCWCPKDWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-9(12(2,10)11)5-3-6(7,8)4-5/h5H,3-4H2,1-2H3.
What are the key properties of N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide?
N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide has a molecular weight of 199.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 167493676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).