5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine

C24H27F3N2O3S — CID 71598649

IUPAC5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc3c(cn2)OC(C2CCN(CC4(C(F)(F)F)CC4)CC2)C3)cc1
InChIInChI=1S/C24H27F3N2O3S/c1-33(30,31)19-4-2-16(3-5-19)20-12-18-13-21(32-22(18)14-28-20)17-6-10-29(11-7-17)15-23(8-9-23)24(25,26)27/h2-5,12,14,17,21H,6-11,13,15H2,1H3
InChIKeyJFMZFLOCZQRBMU-UHFFFAOYSA-N
MW480.55 g/mol
LogP4.51
Rot. Bonds5

About 5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine

5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine (PubChem CID 71598649) has the molecular formula C24H27F3N2O3S and a molecular weight of 480.55 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
PubChem CID71598649
Molecular FormulaC24H27F3N2O3S
Molecular Weight480.55 g/mol
Exact Mass480.17
IUPAC Name5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc3c(cn2)OC(C2CCN(CC4(C(F)(F)F)CC4)CC2)C3)cc1
InChIInChI=1S/C24H27F3N2O3S/c1-33(30,31)19-4-2-16(3-5-19)20-12-18-13-21(32-22(18)14-28-20)17-6-10-29(11-7-17)15-23(8-9-23)24(25,26)27/h2-5,12,14,17,21H,6-11,13,15H2,1H3
InChIKeyJFMZFLOCZQRBMU-UHFFFAOYSA-N
XLogP4.51
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine (CID 71598649) is 5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine is CS(=O)(=O)c1ccc(-c2cc3c(cn2)OC(C2CCN(CC4(C(F)(F)F)CC4)CC2)C3)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine?
The InChIKey is JFMZFLOCZQRBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O3S/c1-33(30,31)19-4-2-16(3-5-19)20-12-18-13-21(32-22(18)14-28-20)17-6-10-29(11-7-17)15-23(8-9-23)24(25,26)27/h2-5,12,14,17,21H,6-11,13,15H2,1H3.
What are the key properties of 5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine?
5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine has a molecular weight of 480.55 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-2-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]-2,3-dihydrofuro[2,3-c]pyridine is sourced from PubChem (CID 71598649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).