N-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide

C6H12F2N2O2S — CID 103352857

IUPACN-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide
SMILESNC1(CNS(=O)(=O)C(F)F)CCC1
InChIInChI=1S/C6H12F2N2O2S/c7-5(8)13(11,12)10-4-6(9)2-1-3-6/h5,10H,1-4,9H2
InChIKeyIUNUJVKHSOXQOP-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.01
Rot. Bonds4

About N-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide

N-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide (PubChem CID 103352857) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide
PubChem CID103352857
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC NameN-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide
SMILESNC1(CNS(=O)(=O)C(F)F)CCC1
InChIInChI=1S/C6H12F2N2O2S/c7-5(8)13(11,12)10-4-6(9)2-1-3-6/h5,10H,1-4,9H2
InChIKeyIUNUJVKHSOXQOP-UHFFFAOYSA-N
XLogP0.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 28940526
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide
CID 61124575
N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide
CID 61135208
N-[3-(aminomethyl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 63889578
N-[(3-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide
CID 66006693
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclobutan-1-amine
CID 103352839
N-[(1-aminocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 113805633
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutan-1-amine
CID 114813012
N-(2-amino-2-ethylbutyl)-1,1-difluoromethanesulfonamide
CID 115305904
N-(2-amino-2-ethylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 115306065
N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide
CID 115309948
N-[1-(aminomethyl)cyclobutyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 116367034

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide (CID 103352857) is N-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide is NC1(CNS(=O)(=O)C(F)F)CCC1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is IUNUJVKHSOXQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c7-5(8)13(11,12)10-4-6(9)2-1-3-6/h5,10H,1-4,9H2.
What are the key properties of N-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide?
N-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 214.24 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 103352857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).