2-cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide

C18H28N4O2S — CID 51359911

IUPAC2-cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCN(c3ccccn3)CC2)CN1C1CCCCC1
InChIInChI=1S/C18H28N4O2S/c23-25(24)15-17(14-22(25)16-6-2-1-3-7-16)20-10-12-21(13-11-20)18-8-4-5-9-19-18/h4-5,8-9,16-17H,1-3,6-7,10-15H2
InChIKeyYGTMNELDVJENQW-UHFFFAOYSA-N
MW364.52 g/mol
LogP1.55
Rot. Bonds3

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

2-cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359911) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 2-cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID51359911
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name2-cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCN(c3ccccn3)CC2)CN1C1CCCCC1
InChIInChI=1S/C18H28N4O2S/c23-25(24)15-17(14-22(25)16-6-2-1-3-7-16)20-10-12-21(13-11-20)18-8-4-5-9-19-18/h4-5,8-9,16-17H,1-3,6-7,10-15H2
InChIKeyYGTMNELDVJENQW-UHFFFAOYSA-N
XLogP1.55
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide (CID 51359911) is 2-cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCN(c3ccccn3)CC2)CN1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is YGTMNELDVJENQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c23-25(24)15-17(14-22(25)16-6-2-1-3-7-16)20-10-12-21(13-11-20)18-8-4-5-9-19-18/h4-5,8-9,16-17H,1-3,6-7,10-15H2.
What are the key properties of 2-cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
2-cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 364.52 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).