4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide

C22H27FN2O2S — CID 51360645

IUPAC4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCC(Cc3ccccc3)CC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O2S/c23-21-8-6-20(7-9-21)15-25-16-22(17-28(25,26)27)24-12-10-19(11-13-24)14-18-4-2-1-3-5-18/h1-9,19,22H,10-17H2
InChIKeyYNGWAWLXWDSCNU-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.29
Rot. Bonds5

About 4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide

4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360645) has the molecular formula C22H27FN2O2S and a molecular weight of 402.54 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID51360645
Molecular FormulaC22H27FN2O2S
Molecular Weight402.54 g/mol
Exact Mass402.18
IUPAC Name4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCC(Cc3ccccc3)CC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O2S/c23-21-8-6-20(7-9-21)15-25-16-22(17-28(25,26)27)24-12-10-19(11-13-24)14-18-4-2-1-3-5-18/h1-9,19,22H,10-17H2
InChIKeyYNGWAWLXWDSCNU-UHFFFAOYSA-N
XLogP3.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide (CID 51360645) is 4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCC(Cc3ccccc3)CC2)CN1Cc1ccc(F)cc1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is YNGWAWLXWDSCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2S/c23-21-8-6-20(7-9-21)15-25-16-22(17-28(25,26)27)24-12-10-19(11-13-24)14-18-4-2-1-3-5-18/h1-9,19,22H,10-17H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 402.54 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).