N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide

C7H14F2N2O2S — CID 114759066

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide
SMILESNCCC1(CNS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C7H14F2N2O2S/c8-6(9)14(12,13)11-5-7(1-2-7)3-4-10/h6,11H,1-5,10H2
InChIKeyIKHXNEFITZCARO-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.26
Rot. Bonds6

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

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide (PubChem CID 114759066) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide
PubChem CID114759066
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide
SMILESNCCC1(CNS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C7H14F2N2O2S/c8-6(9)14(12,13)11-5-7(1-2-7)3-4-10/h6,11H,1-5,10H2
InChIKeyIKHXNEFITZCARO-UHFFFAOYSA-N
XLogP0.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylcyclopropyl)ethyl]methanesulfonamide
CID 131214766
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114759051
N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114813039
N-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide
CID 115456923
N-(2-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide
CID 164133906
N-[[1-(2-aminoethyl)cyclopropyl]methyl]methanesulfonamide
CID 114759089

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide (CID 114759066) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide is NCCC1(CNS(=O)(=O)C(F)F)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is IKHXNEFITZCARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c8-6(9)14(12,13)11-5-7(1-2-7)3-4-10/h6,11H,1-5,10H2.
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 228.26 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 114759066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).