1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole

C11H16F3N3O2S — CID 146076267

IUPAC1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole
SMILESCc1nc(S(=O)(=O)N2CC(C)(CC(F)(F)F)C2)cn1C
InChIInChI=1S/C11H16F3N3O2S/c1-8-15-9(4-16(8)3)20(18,19)17-6-10(2,7-17)5-11(12,13)14/h4H,5-7H2,1-3H3
InChIKeyBGOHYTXPXSXSPV-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.69
Rot. Bonds3

About 1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole

1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole (PubChem CID 146076267) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole.

Molecular Properties

Compound Name1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole
PubChem CID146076267
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole
SMILESCc1nc(S(=O)(=O)N2CC(C)(CC(F)(F)F)C2)cn1C
InChIInChI=1S/C11H16F3N3O2S/c1-8-15-9(4-16(8)3)20(18,19)17-6-10(2,7-17)5-11(12,13)14/h4H,5-7H2,1-3H3
InChIKeyBGOHYTXPXSXSPV-UHFFFAOYSA-N
XLogP1.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole?
The IUPAC name of 1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole (CID 146076267) is 1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole.
What is the SMILES notation for 1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole?
The canonical SMILES for 1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole is Cc1nc(S(=O)(=O)N2CC(C)(CC(F)(F)F)C2)cn1C.
What is the InChIKey of 1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole?
The InChIKey is BGOHYTXPXSXSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-8-15-9(4-16(8)3)20(18,19)17-6-10(2,7-17)5-11(12,13)14/h4H,5-7H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole?
1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole has a molecular weight of 311.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]sulfonylimidazole is sourced from PubChem (CID 146076267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).