4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole

C11H18FN3O2S — CID 163351430

IUPAC4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(CF)C2)c1
InChIInChI=1S/C11H18FN3O2S/c1-9(2)14-7-11(13-8-14)18(16,17)15-4-3-10(5-12)6-15/h7-10H,3-6H2,1-2H3
InChIKeyLOMJFIIXPRRHQM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.44
Rot. Bonds4

About 4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole

4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole (PubChem CID 163351430) has the molecular formula C11H18FN3O2S and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole
PubChem CID163351430
Molecular FormulaC11H18FN3O2S
Molecular Weight275.35 g/mol
Exact Mass275.11
IUPAC Name4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(CF)C2)c1
InChIInChI=1S/C11H18FN3O2S/c1-9(2)14-7-11(13-8-14)18(16,17)15-4-3-10(5-12)6-15/h7-10H,3-6H2,1-2H3
InChIKeyLOMJFIIXPRRHQM-UHFFFAOYSA-N
XLogP1.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole?
The IUPAC name of 4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole (CID 163351430) is 4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole.
What is the SMILES notation for 4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole?
The canonical SMILES for 4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole is CC(C)n1cnc(S(=O)(=O)N2CCC(CF)C2)c1.
What is the InChIKey of 4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole?
The InChIKey is LOMJFIIXPRRHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O2S/c1-9(2)14-7-11(13-8-14)18(16,17)15-4-3-10(5-12)6-15/h7-10H,3-6H2,1-2H3.
What are the key properties of 4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole?
4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole has a molecular weight of 275.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(fluoromethyl)pyrrolidin-1-yl]sulfonyl-1-propan-2-ylimidazole is sourced from PubChem (CID 163351430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).