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

C20H30N2O2S — CID 51360715

IUPAC4-(4-benzylpiperidin-1-yl)-2-cyclopentyl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCC(Cc3ccccc3)CC2)CN1C1CCCC1
InChIInChI=1S/C20H30N2O2S/c23-25(24)16-20(15-22(25)19-8-4-5-9-19)21-12-10-18(11-13-21)14-17-6-2-1-3-7-17/h1-3,6-7,18-20H,4-5,8-16H2
InChIKeyLLSPABOGCPADBS-UHFFFAOYSA-N
MW362.54 g/mol
LogP2.90
Rot. Bonds4

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

4-(4-benzylpiperidin-1-yl)-2-cyclopentyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360715) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-2-cyclopentyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-2-cyclopentyl-1,2-thiazolidine 1,1-dioxide
PubChem CID51360715
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name4-(4-benzylpiperidin-1-yl)-2-cyclopentyl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCC(Cc3ccccc3)CC2)CN1C1CCCC1
InChIInChI=1S/C20H30N2O2S/c23-25(24)16-20(15-22(25)19-8-4-5-9-19)21-12-10-18(11-13-21)14-17-6-2-1-3-7-17/h1-3,6-7,18-20H,4-5,8-16H2
InChIKeyLLSPABOGCPADBS-UHFFFAOYSA-N
XLogP2.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 52.90
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-cyclopentyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-cyclopentyl-1,2-thiazolidine 1,1-dioxide (CID 51360715) is 4-(4-benzylpiperidin-1-yl)-2-cyclopentyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-2-cyclopentyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-2-cyclopentyl-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCC(Cc3ccccc3)CC2)CN1C1CCCC1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-2-cyclopentyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is LLSPABOGCPADBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c23-25(24)16-20(15-22(25)19-8-4-5-9-19)21-12-10-18(11-13-21)14-17-6-2-1-3-7-17/h1-3,6-7,18-20H,4-5,8-16H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-2-cyclopentyl-1,2-thiazolidine 1,1-dioxide?
4-(4-benzylpiperidin-1-yl)-2-cyclopentyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 362.54 g/mol, XLogP of 2.90, 4 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-cyclopentyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).