N-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide

C8H18F2N2O2S — CID 106141821

IUPACN-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide
SMILESCC(C)(CCCN)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-8(2,4-3-5-11)6-12-15(13,14)7(9)10/h7,12H,3-6,11H2,1-2H3
InChIKeyQBIOWXAAOSZLLV-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.89
Rot. Bonds7

About N-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide

N-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide (PubChem CID 106141821) has the molecular formula C8H18F2N2O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide
PubChem CID106141821
Molecular FormulaC8H18F2N2O2S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide
SMILESCC(C)(CCCN)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-8(2,4-3-5-11)6-12-15(13,14)7(9)10/h7,12H,3-6,11H2,1-2H3
InChIKeyQBIOWXAAOSZLLV-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

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Related Compounds

N-[2-[1-(aminomethyl)-3,3-dimethylcyclobutyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 21888392
N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 21888413
5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide
CID 91392136
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
N-(2-ethyl-2-methylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 164021219
N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide
CID 177280010
N-(2-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 43606286
N-(1-amino-4-methylpentan-2-yl)-1,1-difluoromethanesulfonamide
CID 63767726
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide
CID 79711267
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1-difluoromethanesulfonamide
CID 79711436
N-(4-amino-2-ethylbutyl)-1,1-difluoromethanesulfonamide
CID 80313260
N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide
CID 106116380

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide (CID 106141821) is N-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide is CC(C)(CCCN)CNS(=O)(=O)C(F)F.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide?
The InChIKey is QBIOWXAAOSZLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O2S/c1-8(2,4-3-5-11)6-12-15(13,14)7(9)10/h7,12H,3-6,11H2,1-2H3.
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide?
N-(5-amino-2,2-dimethylpentyl)-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-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106141821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).