N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide

C10H19F3N2O2S — CID 114759051

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCCC1(CNS(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)2-1-7-18(16,17)15-8-9(3-4-9)5-6-14/h15H,1-8,14H2
InChIKeyAYPNQFLUVQURAA-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.38
Rot. Bonds8

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 114759051) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID114759051
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCCC1(CNS(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)2-1-7-18(16,17)15-8-9(3-4-9)5-6-14/h15H,1-8,14H2
InChIKeyAYPNQFLUVQURAA-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide
CID 91392136
N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83057952
N-(2-Amino-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058388
N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059873
N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067717
N-(5-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067718
N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide
CID 100744465
N-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106141756
N-[2-(aminomethyl)-2-ethylbutyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106251128
N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 114149070
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide
CID 114759066
N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114813039

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 114759051) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide is NCCC1(CNS(=O)(=O)CCCC(F)(F)F)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is AYPNQFLUVQURAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c11-10(12,13)2-1-7-18(16,17)15-8-9(3-4-9)5-6-14/h15H,1-8,14H2.
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.38, 8 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]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 114759051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).