N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide

C6H14F2N2O2S — CID 115365904

IUPACN-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide
SMILESCC(C)(CN)CNS(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-6(2,3-9)4-10-13(11,12)5(7)8/h5,10H,3-4,9H2,1-2H3
InChIKeyKFZYNNJXHILCLT-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.11
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide

N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide (PubChem CID 115365904) has the molecular formula C6H14F2N2O2S and a molecular weight of 216.25 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide
PubChem CID115365904
Molecular FormulaC6H14F2N2O2S
Molecular Weight216.25 g/mol
Exact Mass216.07
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide
SMILESCC(C)(CN)CNS(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-6(2,3-9)4-10-13(11,12)5(7)8/h5,10H,3-4,9H2,1-2H3
InChIKeyKFZYNNJXHILCLT-UHFFFAOYSA-N
XLogP0.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide
CID 106251209
3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 104873880
N-(2-aminoethyl)-1,1-difluoromethanesulfonamide
CID 28606994
N-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide
CID 106286744
N-ethyl-1,1-difluoromethanesulfonamide
CID 43258972
1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide
CID 103834963
2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine
CID 114804144
N-(3-aminopropyl)-1,1-difluoromethanesulfonamide
CID 28606997
N-(3-amino-2,2-dimethylpropyl)cyclobutanesulfonamide
CID 115270992
ethyl 2-(difluoromethylsulfonylamino)acetate
CID 60816614
6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid
CID 65284819
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide (CID 115365904) is N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide is CC(C)(CN)CNS(=O)(=O)C(F)F.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide?
The InChIKey is KFZYNNJXHILCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2O2S/c1-6(2,3-9)4-10-13(11,12)5(7)8/h5,10H,3-4,9H2,1-2H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide has a molecular weight of 216.25 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 115365904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).