N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide

C8H18F2N2O2S — CID 106116380

IUPACN-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide
SMILESCCCC(CCN)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-2-3-7(4-5-11)6-12-15(13,14)8(9)10/h7-8,12H,2-6,11H2,1H3
InChIKeyUMXVWKCEZZGPGG-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.89
Rot. Bonds8

About N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide

N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide (PubChem CID 106116380) has the molecular formula C8H18F2N2O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide
PubChem CID106116380
Molecular FormulaC8H18F2N2O2S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC NameN-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide
SMILESCCCC(CCN)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-2-3-7(4-5-11)6-12-15(13,14)8(9)10/h7-8,12H,2-6,11H2,1H3
InChIKeyUMXVWKCEZZGPGG-UHFFFAOYSA-N
XLogP0.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-(Cyclohexylmethyl)trifluoromethanesulfonamide
CID 67477256
N-(2-ethylhexyl)methanesulfonamide
CID 5176352
N-[2-[1-(aminomethyl)-3,3-dimethylcyclobutyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 21888392
N-(2,7-dimethyloctyl)-1,1,1-trifluoromethanesulfonamide
CID 88893591
N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
CID 121432266
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide
CID 157077652
Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine
CID 159813378
ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
CID 165393913
1,1,1-trifluoro-N-[5-methyl-6-(trifluoromethylsulfonylamino)hexyl]methanesulfonamide
CID 167003100
N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide
CID 177280010

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide (CID 106116380) is N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide is CCCC(CCN)CNS(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide?
The InChIKey is UMXVWKCEZZGPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O2S/c1-2-3-7(4-5-11)6-12-15(13,14)8(9)10/h7-8,12H,2-6,11H2,1H3.
What are the key properties of N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide?
N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide has a molecular weight of 244.31 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106116380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).