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

C11H19F3N4O2S — CID 107493939

IUPACN-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CCN)CC(F)(F)F)nc1C
InChIInChI=1S/C11H19F3N4O2S/c1-3-5-17-7-10(16-9(17)2)21(19,20)18(6-4-15)8-11(12,13)14/h7H,3-6,8,15H2,1-2H3
InChIKeyAMKVPGJMQZOBGO-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.11
Rot. Bonds7

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

N-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 107493939) has the molecular formula C11H19F3N4O2S and a molecular weight of 328.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID107493939
Molecular FormulaC11H19F3N4O2S
Molecular Weight328.36 g/mol
Exact Mass328.12
IUPAC NameN-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CCN)CC(F)(F)F)nc1C
InChIInChI=1S/C11H19F3N4O2S/c1-3-5-17-7-10(16-9(17)2)21(19,20)18(6-4-15)8-11(12,13)14/h7H,3-6,8,15H2,1-2H3
InChIKeyAMKVPGJMQZOBGO-UHFFFAOYSA-N
XLogP1.11
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 107493939) is N-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(CCN)CC(F)(F)F)nc1C.
What is the InChIKey of N-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is AMKVPGJMQZOBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O2S/c1-3-5-17-7-10(16-9(17)2)21(19,20)18(6-4-15)8-11(12,13)14/h7H,3-6,8,15H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
N-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 328.36 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 107493939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).