N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide

C9H17F3N2O2S — CID 83067717

IUPACN-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC(NS(=O)(=O)CCCC(F)(F)F)C1CC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)4-1-5-17(15,16)14-8(6-13)7-2-3-7/h7-8,14H,1-6,13H2
InChIKeyDSKPJJUDLDVEJE-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.99
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83067717) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83067717
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC(NS(=O)(=O)CCCC(F)(F)F)C1CC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)4-1-5-17(15,16)14-8(6-13)7-2-3-7/h7-8,14H,1-6,13H2
InChIKeyDSKPJJUDLDVEJE-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)propane-1-sulfonamide
CID 61124953
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740
N-(2-amino-1-cyclopentylethyl)ethanesulfonamide
CID 106737875
N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059853
1-cyclopropyl-N-(methylsulfamoyl)ethane-1,2-diamine
CID 114804059
N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide
CID 100627668
ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate
CID 65189082
N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide
CID 106737773
4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide
CID 115967682
N-(2-amino-1-cyclopentylethyl)prop-2-ene-1-sulfonamide
CID 106737824
N-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride
CID 120713685
4,4,4-trifluoro-N-pent-1-yn-3-ylbutane-1-sulfonamide
CID 106898603

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83067717) is N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide is NCC(NS(=O)(=O)CCCC(F)(F)F)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is DSKPJJUDLDVEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)4-1-5-17(15,16)14-8(6-13)7-2-3-7/h7-8,14H,1-6,13H2.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 274.31 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83067717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).