N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide

C8H18F2N2O2S — CID 115309948

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-6(2)4-8(3,5-11)12-15(13,14)7(9)10/h6-7,12H,4-5,11H2,1-3H3
InChIKeyCSQAYYGIADWGII-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.89
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide

N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide (PubChem CID 115309948) has the molecular formula C8H18F2N2O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide
PubChem CID115309948
Molecular FormulaC8H18F2N2O2S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-6(2)4-8(3,5-11)12-15(13,14)7(9)10/h6-7,12H,4-5,11H2,1-3H3
InChIKeyCSQAYYGIADWGII-UHFFFAOYSA-N
XLogP0.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

N,N'-(2-methylpentane-1,2-diyl)bis(trifluoromethanesulfonamide)
CID 129742758
N-(1-amino-2,4-dimethylpentan-2-yl)methanesulfonamide
CID 84591478
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
CID 165393913
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940488
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940710
N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598224
N-(2-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 43606286
N-(2-amino-4-methylpentyl)-1,1,1-trifluoromethanesulfonamide
CID 43606426
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide
CID 61124575
N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide
CID 61135208
N-(1-amino-4-methylpentan-2-yl)-1,1-difluoromethanesulfonamide
CID 63767726

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide (CID 115309948) is N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide is CC(C)CC(C)(CN)NS(=O)(=O)C(F)F.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is CSQAYYGIADWGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O2S/c1-6(2)4-8(3,5-11)12-15(13,14)7(9)10/h6-7,12H,4-5,11H2,1-3H3.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 244.31 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 115309948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).