N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

C10H17F3N4O2S — CID 107493921

IUPACN-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCN)CC(F)(F)F)nc1C
InChIInChI=1S/C10H17F3N4O2S/c1-3-16-6-9(15-8(16)2)20(18,19)17(5-4-14)7-10(11,12)13/h6H,3-5,7,14H2,1-2H3
InChIKeyUHVAMMOSWFSAHG-UHFFFAOYSA-N
MW314.33 g/mol
LogP0.72
Rot. Bonds6

About N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 107493921) has the molecular formula C10H17F3N4O2S and a molecular weight of 314.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID107493921
Molecular FormulaC10H17F3N4O2S
Molecular Weight314.33 g/mol
Exact Mass314.10
IUPAC NameN-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCN)CC(F)(F)F)nc1C
InChIInChI=1S/C10H17F3N4O2S/c1-3-16-6-9(15-8(16)2)20(18,19)17(5-4-14)7-10(11,12)13/h6H,3-5,7,14H2,1-2H3
InChIKeyUHVAMMOSWFSAHG-UHFFFAOYSA-N
XLogP0.72
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 107493921) is N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(CCN)CC(F)(F)F)nc1C.
What is the InChIKey of N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is UHVAMMOSWFSAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O2S/c1-3-16-6-9(15-8(16)2)20(18,19)17(5-4-14)7-10(11,12)13/h6H,3-5,7,14H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 314.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 107493921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).