N-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

C8H17F3N2O2S — CID 83068014

IUPACN-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(CCN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-2-13(6-5-12)16(14,15)7-3-4-8(9,10)11/h2-7,12H2,1H3
InChIKeyYJFINHHUKZPLIB-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.94
Rot. Bonds7

About N-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

N-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83068014) has the molecular formula C8H17F3N2O2S and a molecular weight of 262.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83068014
Molecular FormulaC8H17F3N2O2S
Molecular Weight262.30 g/mol
Exact Mass262.10
IUPAC NameN-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(CCN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-2-13(6-5-12)16(14,15)7-3-4-8(9,10)11/h2-7,12H2,1H3
InChIKeyYJFINHHUKZPLIB-UHFFFAOYSA-N
XLogP0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (CID 83068014) is N-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is CCN(CCN)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is YJFINHHUKZPLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2S/c1-2-13(6-5-12)16(14,15)7-3-4-8(9,10)11/h2-7,12H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 262.30 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83068014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).