N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide

C8H18F2N2O2S — CID 106251209

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide
SMILESCCC(CC)(CN)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-3-8(4-2,5-11)6-12-15(13,14)7(9)10/h7,12H,3-6,11H2,1-2H3
InChIKeyKLKUJZKTAUEXQZ-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.89
Rot. Bonds7

About N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide

N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide (PubChem CID 106251209) has the molecular formula C8H18F2N2O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide
PubChem CID106251209
Molecular FormulaC8H18F2N2O2S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide
SMILESCCC(CC)(CN)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-3-8(4-2,5-11)6-12-15(13,14)7(9)10/h7,12H,3-6,11H2,1-2H3
InChIKeyKLKUJZKTAUEXQZ-UHFFFAOYSA-N
XLogP0.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide
CID 115365904
N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine
CID 106251175
N-ethyl-1,1-difluoromethanesulfonamide
CID 43258972
N-(2-aminoethyl)-1,1-difluoromethanesulfonamide
CID 28606994
N-[2-(aminomethyl)-2-ethylbutyl]-3,4-difluorobenzenesulfonamide
CID 106251271
3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 104873880
ethyl 2-(difluoromethylsulfonylamino)acetate
CID 60816614
N-[2-(aminomethyl)-2-ethylbutyl]propanamide
CID 106250084
N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide
CID 106251290
N-(3-aminopropyl)-1,1-difluoromethanesulfonamide
CID 28606997
N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide
CID 106251055
N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide
CID 106251096

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide (CID 106251209) is N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide is CCC(CC)(CN)CNS(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide?
The InChIKey is KLKUJZKTAUEXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O2S/c1-3-8(4-2,5-11)6-12-15(13,14)7(9)10/h7,12H,3-6,11H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide?
N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide has a molecular weight of 244.31 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106251209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).