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

C23H30N2O2S — CID 51359903

IUPAC4-(4-benzylpiperidin-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1ccc(CN2CC(N3CCC(Cc4ccccc4)CC3)CS2(=O)=O)cc1
InChIInChI=1S/C23H30N2O2S/c1-19-7-9-22(10-8-19)16-25-17-23(18-28(25,26)27)24-13-11-21(12-14-24)15-20-5-3-2-4-6-20/h2-10,21,23H,11-18H2,1H3
InChIKeyAXZAEWFGCVOHAV-UHFFFAOYSA-N
MW398.57 g/mol
LogP3.46
Rot. Bonds5

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

4-(4-benzylpiperidin-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359903) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID51359903
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name4-(4-benzylpiperidin-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1ccc(CN2CC(N3CCC(Cc4ccccc4)CC3)CS2(=O)=O)cc1
InChIInChI=1S/C23H30N2O2S/c1-19-7-9-22(10-8-19)16-25-17-23(18-28(25,26)27)24-13-11-21(12-14-24)15-20-5-3-2-4-6-20/h2-10,21,23H,11-18H2,1H3
InChIKeyAXZAEWFGCVOHAV-UHFFFAOYSA-N
XLogP3.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 53.46
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-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide (CID 51359903) is 4-(4-benzylpiperidin-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide is Cc1ccc(CN2CC(N3CCC(Cc4ccccc4)CC3)CS2(=O)=O)cc1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is AXZAEWFGCVOHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-19-7-9-22(10-8-19)16-25-17-23(18-28(25,26)27)24-13-11-21(12-14-24)15-20-5-3-2-4-6-20/h2-10,21,23H,11-18H2,1H3.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
4-(4-benzylpiperidin-1-yl)-2-[(4-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 398.57 g/mol, XLogP of 3.46, 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-methylphenyl)methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).