2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide

C15H29N3O2S — CID 69431864

IUPAC2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CC(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C15H29N3O2S/c19-21(20)12-4-9-18(21)13-15(14-5-2-1-3-6-14)17-10-7-16-8-11-17/h14-16H,1-13H2
InChIKeyZDFYNUGETDWDNM-UHFFFAOYSA-N
MW315.48 g/mol
LogP0.88
Rot. Bonds4

About 2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide

2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 69431864) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID69431864
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CC(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C15H29N3O2S/c19-21(20)12-4-9-18(21)13-15(14-5-2-1-3-6-14)17-10-7-16-8-11-17/h14-16H,1-13H2
InChIKeyZDFYNUGETDWDNM-UHFFFAOYSA-N
XLogP0.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide (CID 69431864) is 2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1CC(C1CCCCC1)N1CCNCC1.
What is the InChIKey of 2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is ZDFYNUGETDWDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c19-21(20)12-4-9-18(21)13-15(14-5-2-1-3-6-14)17-10-7-16-8-11-17/h14-16H,1-13H2.
What are the key properties of 2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide?
2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 315.48 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 69431864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).