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

C8H18F2N2O2S — CID 106286744

IUPACN-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide
SMILESCCC(CC)C(N)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-3-6(4-2)7(11)5-12-15(13,14)8(9)10/h6-8,12H,3-5,11H2,1-2H3
InChIKeyBAQRHZVEZDPJEK-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.89
Rot. Bonds7

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

N-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide (PubChem CID 106286744) has the molecular formula C8H18F2N2O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide
PubChem CID106286744
Molecular FormulaC8H18F2N2O2S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC NameN-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide
SMILESCCC(CC)C(N)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-3-6(4-2)7(11)5-12-15(13,14)8(9)10/h6-8,12H,3-5,11H2,1-2H3
InChIKeyBAQRHZVEZDPJEK-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

2-amino-3-ethyl-1-(sulfamoylamino)pentane
CID 106286827
N-ethyl-1,1-difluoromethanesulfonamide
CID 43258972
N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106286721
N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide
CID 115365904
ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate
CID 106286779
N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide
CID 114168552
1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide
CID 115747194
N-(2-amino-3-ethylpentyl)-1H-imidazole-5-sulfonamide
CID 114168541
N-(2-aminoethyl)-1,1-difluoromethanesulfonamide
CID 28606994
ethyl 2-(difluoromethylsulfonylamino)acetate
CID 60816614
N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide
CID 106251209
N-(3-aminopropyl)-1,1-difluoromethanesulfonamide
CID 28606997

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide (CID 106286744) is N-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide is CCC(CC)C(N)CNS(=O)(=O)C(F)F.
What is the InChIKey of N-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide?
The InChIKey is BAQRHZVEZDPJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O2S/c1-3-6(4-2)7(11)5-12-15(13,14)8(9)10/h6-8,12H,3-5,11H2,1-2H3.
What are the key properties of N-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide?
N-(2-amino-3-ethylpentyl)-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-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106286744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).