5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

C10H17F3N4O2S — CID 63979848

IUPAC5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C10H17F3N4O2S/c1-7(2)4-17(5-10(11,12)13)20(18,19)9-8(14)15-6-16(9)3/h6-7H,4-5,14H2,1-3H3
InChIKeyPDVWHTXBZFQHIW-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.21
Rot. Bonds5

About 5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 63979848) has the molecular formula C10H17F3N4O2S and a molecular weight of 314.33 g/mol. Its IUPAC name is 5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID63979848
Molecular FormulaC10H17F3N4O2S
Molecular Weight314.33 g/mol
Exact Mass314.10
IUPAC Name5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C10H17F3N4O2S/c1-7(2)4-17(5-10(11,12)13)20(18,19)9-8(14)15-6-16(9)3/h6-7H,4-5,14H2,1-3H3
InChIKeyPDVWHTXBZFQHIW-UHFFFAOYSA-N
XLogP1.21
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 63979848) is 5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CC(C)CN(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is PDVWHTXBZFQHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O2S/c1-7(2)4-17(5-10(11,12)13)20(18,19)9-8(14)15-6-16(9)3/h6-7H,4-5,14H2,1-3H3.
What are the key properties of 5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 314.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 63979848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).