2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide

C15H22N2O2S — CID 51359871

IUPAC2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCCCC2)CN1Cc1ccccc1
InChIInChI=1S/C15H22N2O2S/c18-20(19)13-15(16-9-5-2-6-10-16)12-17(20)11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2
InChIKeyWKSQOVOCRYLRSM-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.69
Rot. Bonds3

About 2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide

2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359871) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID51359871
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCCCC2)CN1Cc1ccccc1
InChIInChI=1S/C15H22N2O2S/c18-20(19)13-15(16-9-5-2-6-10-16)12-17(20)11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2
InChIKeyWKSQOVOCRYLRSM-UHFFFAOYSA-N
XLogP1.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide (CID 51359871) is 2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCCCC2)CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is WKSQOVOCRYLRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-20(19)13-15(16-9-5-2-6-10-16)12-17(20)11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2.
What are the key properties of 2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 294.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).