N-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide

C9H19F3N2O2S — CID 83068090

IUPACN-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
SMILESCCCN(CCN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-2-6-14(7-5-13)17(15,16)8-3-4-9(10,11)12/h2-8,13H2,1H3
InChIKeyJPXVDXXUVOHHNB-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.33
Rot. Bonds8

About N-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide

N-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide (PubChem CID 83068090) has the molecular formula C9H19F3N2O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
PubChem CID83068090
Molecular FormulaC9H19F3N2O2S
Molecular Weight276.32 g/mol
Exact Mass276.11
IUPAC NameN-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
SMILESCCCN(CCN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-2-6-14(7-5-13)17(15,16)8-3-4-9(10,11)12/h2-8,13H2,1H3
InChIKeyJPXVDXXUVOHHNB-UHFFFAOYSA-N
XLogP1.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide (CID 83068090) is N-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide is CCCN(CCN)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The InChIKey is JPXVDXXUVOHHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2S/c1-2-6-14(7-5-13)17(15,16)8-3-4-9(10,11)12/h2-8,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
N-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 83068090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).