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

C20H30N2O2S — CID 51359918

IUPAC2-cyclohexyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCC(c3ccccc3)CC2)CN1C1CCCCC1
InChIInChI=1S/C20H30N2O2S/c23-25(24)16-20(15-22(25)19-9-5-2-6-10-19)21-13-11-18(12-14-21)17-7-3-1-4-8-17/h1,3-4,7-8,18-20H,2,5-6,9-16H2
InChIKeyAJFYGTHIQWSHBT-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.21
Rot. Bonds3

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

2-cyclohexyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359918) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 2-cyclohexyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-cyclohexyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID51359918
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name2-cyclohexyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCC(c3ccccc3)CC2)CN1C1CCCCC1
InChIInChI=1S/C20H30N2O2S/c23-25(24)16-20(15-22(25)19-9-5-2-6-10-19)21-13-11-18(12-14-21)17-7-3-1-4-8-17/h1,3-4,7-8,18-20H,2,5-6,9-16H2
InChIKeyAJFYGTHIQWSHBT-UHFFFAOYSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-cyclohexyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide (CID 51359918) is 2-cyclohexyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-cyclohexyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-cyclohexyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCC(c3ccccc3)CC2)CN1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is AJFYGTHIQWSHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c23-25(24)16-20(15-22(25)19-9-5-2-6-10-19)21-13-11-18(12-14-21)17-7-3-1-4-8-17/h1,3-4,7-8,18-20H,2,5-6,9-16H2.
What are the key properties of 2-cyclohexyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide?
2-cyclohexyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 362.54 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(4-phenylpiperidin-1-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).