2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide

C22H28N2O2S — CID 51359872

IUPAC2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCC(Cc3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C22H28N2O2S/c25-27(26)18-22(17-24(27)16-21-9-5-2-6-10-21)23-13-11-20(12-14-23)15-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2
InChIKeyCXCFLKGKADZHEG-UHFFFAOYSA-N
MW384.54 g/mol
LogP3.16
Rot. Bonds5

About 2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide

2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359872) has the molecular formula C22H28N2O2S and a molecular weight of 384.54 g/mol. Its IUPAC name is 2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID51359872
Molecular FormulaC22H28N2O2S
Molecular Weight384.54 g/mol
Exact Mass384.19
IUPAC Name2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCC(Cc3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C22H28N2O2S/c25-27(26)18-22(17-24(27)16-21-9-5-2-6-10-21)23-13-11-20(12-14-23)15-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2
InChIKeyCXCFLKGKADZHEG-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide (CID 51359872) is 2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCC(Cc3ccccc3)CC2)CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is CXCFLKGKADZHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c25-27(26)18-22(17-24(27)16-21-9-5-2-6-10-21)23-13-11-20(12-14-23)15-19-7-3-1-4-8-19/h1-10,20,22H,11-18H2.
What are the key properties of 2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 384.54 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-benzylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).