N-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide

C6H11F2NO2S — CID 131154537

IUPACN-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C6H11F2NO2S/c1-12(10,11)9-4-5-2-6(7,8)3-5/h5,9H,2-4H2,1H3
InChIKeyQRZYCFKMKIKPPZ-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.58
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide

N-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide (PubChem CID 131154537) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide
PubChem CID131154537
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C6H11F2NO2S/c1-12(10,11)9-4-5-2-6(7,8)3-5/h5,9H,2-4H2,1H3
InChIKeyQRZYCFKMKIKPPZ-UHFFFAOYSA-N
XLogP0.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-N-(2-methylbutyl)methanesulfonamide
CID 72183447
(s)-2-Methylbutylammonium triflate
CID 129750872
1,1,1-trifluoro-N-pentylmethanesulfonamide
CID 58427682
1,1-difluoro-N-(2-methylpropyl)methanesulfonamide
CID 62735181
1,1-difluoro-N-pentylmethanesulfonamide
CID 88766737
1,1,1-Trifluoro-N-isopentylmethanesulfonamide
CID 118301710
1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine
CID 131966976
2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide
CID 157027047
N-[(3-aminocyclobutyl)methyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 65989002
N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide
CID 66006693
N-(4-amino-2-methylbutyl)-1,1-difluoromethanesulfonamide
CID 66089301
N-(4-amino-2-ethylbutyl)-1,1-difluoromethanesulfonamide
CID 80313260

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide (CID 131154537) is N-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide is CS(=O)(=O)NCC1CC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide?
The InChIKey is QRZYCFKMKIKPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-12(10,11)9-4-5-2-6(7,8)3-5/h5,9H,2-4H2,1H3.
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide?
N-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide has a molecular weight of 199.22 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide is sourced from PubChem (CID 131154537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).