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

C21H26N2O2S — CID 51359873

IUPAC2-benzyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCC(c3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C21H26N2O2S/c24-26(25)17-21(16-23(26)15-18-7-3-1-4-8-18)22-13-11-20(12-14-22)19-9-5-2-6-10-19/h1-10,20-21H,11-17H2
InChIKeyQLRZXYHYBPMSRJ-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.08
Rot. Bonds4

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

2-benzyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359873) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-benzyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-benzyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID51359873
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-benzyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCC(c3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C21H26N2O2S/c24-26(25)17-21(16-23(26)15-18-7-3-1-4-8-18)22-13-11-20(12-14-22)19-9-5-2-6-10-19/h1-10,20-21H,11-17H2
InChIKeyQLRZXYHYBPMSRJ-UHFFFAOYSA-N
XLogP3.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(E)-1-benzyl-4-(styrylsulfonyl)piperazine
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CID 14107006
CID 14107006
1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine
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1-Benzyl-4-(benzylsulfonyl)piperazine
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4-Benzyl-1-(benzylsulfonyl)piperidine
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1-(benzylsulfonyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine
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1-(4-Methyl-cyclohexyl)-4-phenylmethanesulfonyl-piperazine
CID 1151775
1-Benzhydryl-4-[2-(trifluoromethylsulfonyl)ethyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-benzyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide (CID 51359873) is 2-benzyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-benzyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-benzyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCC(c3ccccc3)CC2)CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is QLRZXYHYBPMSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c24-26(25)17-21(16-23(26)15-18-7-3-1-4-8-18)22-13-11-20(12-14-22)19-9-5-2-6-10-19/h1-10,20-21H,11-17H2.
What are the key properties of 2-benzyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
2-benzyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 370.52 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).