5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole

C10H13F2N3O3S — CID 167762159

IUPAC5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
SMILESO=S(=O)(c1cnc[nH]1)N1CCC(C2OCC2(F)F)C1
InChIInChI=1S/C10H13F2N3O3S/c11-10(12)5-18-9(10)7-1-2-15(4-7)19(16,17)8-3-13-6-14-8/h3,6-7,9H,1-2,4-5H2,(H,13,14)
InChIKeyFVGHRUODNDGXIM-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.45
Rot. Bonds3

About 5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole

5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole (PubChem CID 167762159) has the molecular formula C10H13F2N3O3S and a molecular weight of 293.29 g/mol. Its IUPAC name is 5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole.

Molecular Properties

Compound Name5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
PubChem CID167762159
Molecular FormulaC10H13F2N3O3S
Molecular Weight293.29 g/mol
Exact Mass293.06
IUPAC Name5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
SMILESO=S(=O)(c1cnc[nH]1)N1CCC(C2OCC2(F)F)C1
InChIInChI=1S/C10H13F2N3O3S/c11-10(12)5-18-9(10)7-1-2-15(4-7)19(16,17)8-3-13-6-14-8/h3,6-7,9H,1-2,4-5H2,(H,13,14)
InChIKeyFVGHRUODNDGXIM-UHFFFAOYSA-N
XLogP0.45
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole?
The IUPAC name of 5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole (CID 167762159) is 5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole.
What is the SMILES notation for 5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole?
The canonical SMILES for 5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole is O=S(=O)(c1cnc[nH]1)N1CCC(C2OCC2(F)F)C1.
What is the InChIKey of 5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole?
The InChIKey is FVGHRUODNDGXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O3S/c11-10(12)5-18-9(10)7-1-2-15(4-7)19(16,17)8-3-13-6-14-8/h3,6-7,9H,1-2,4-5H2,(H,13,14).
What are the key properties of 5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole?
5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole has a molecular weight of 293.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole is sourced from PubChem (CID 167762159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).