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

C21H25FN2O2S — CID 51360646

IUPAC2-[(4-fluorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCC(c3ccccc3)CC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2S/c22-20-8-6-17(7-9-20)14-24-15-21(16-27(24,25)26)23-12-10-19(11-13-23)18-4-2-1-3-5-18/h1-9,19,21H,10-16H2
InChIKeyKYVVKAJNOHMCMX-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.22
Rot. Bonds4

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

2-[(4-fluorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360646) has the molecular formula C21H25FN2O2S and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID51360646
Molecular FormulaC21H25FN2O2S
Molecular Weight388.51 g/mol
Exact Mass388.16
IUPAC Name2-[(4-fluorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCC(c3ccccc3)CC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2S/c22-20-8-6-17(7-9-20)14-24-15-21(16-27(24,25)26)23-12-10-19(11-13-23)18-4-2-1-3-5-18/h1-9,19,21H,10-16H2
InChIKeyKYVVKAJNOHMCMX-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide 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 2-[(4-fluorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide (CID 51360646) is 2-[(4-fluorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCC(c3ccccc3)CC2)CN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is KYVVKAJNOHMCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2S/c22-20-8-6-17(7-9-20)14-24-15-21(16-27(24,25)26)23-12-10-19(11-13-23)18-4-2-1-3-5-18/h1-9,19,21H,10-16H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
2-[(4-fluorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 388.51 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).