N-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide

C7H16F2N2O2S — CID 106141541

IUPACN-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide
SMILESCC(C)(CCN)CNS(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-7(2,3-4-10)5-11-14(12,13)6(8)9/h6,11H,3-5,10H2,1-2H3
InChIKeyJGNAUKLFNWUXBC-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.50
Rot. Bonds6

About N-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide

N-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide (PubChem CID 106141541) has the molecular formula C7H16F2N2O2S and a molecular weight of 230.28 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide
PubChem CID106141541
Molecular FormulaC7H16F2N2O2S
Molecular Weight230.28 g/mol
Exact Mass230.09
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide
SMILESCC(C)(CCN)CNS(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-7(2,3-4-10)5-11-14(12,13)6(8)9/h6,11H,3-5,10H2,1-2H3
InChIKeyJGNAUKLFNWUXBC-UHFFFAOYSA-N
XLogP0.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-Trifluoro-N-(2-methylbutyl)methanesulfonamide
CID 72183447
N-[(2R)-3,3-dimethylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 176436279
N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide
CID 58044349
N-(3,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 58468956
N-[[1-(trifluoromethyl)cyclopropyl]methyl]methanesulfonamide
CID 69564211
1,1,1-Trifluoro-N-isopentylmethanesulfonamide
CID 118301710
N-(2-ethyl-2-methylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 164021219
N-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane
CID 165393849
N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide
CID 61135208
N-(4-amino-2-methylbutyl)-1,1-difluoromethanesulfonamide
CID 66089301
N-(4-amino-2-ethylbutyl)-1,1-difluoromethanesulfonamide
CID 80313260
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 106141425

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide (CID 106141541) is N-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide is CC(C)(CCN)CNS(=O)(=O)C(F)F.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide?
The InChIKey is JGNAUKLFNWUXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O2S/c1-7(2,3-4-10)5-11-14(12,13)6(8)9/h6,11H,3-5,10H2,1-2H3.
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide?
N-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide has a molecular weight of 230.28 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106141541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).