2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine

C17H34N4O2S — CID 51359909

IUPAC2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(C2CN(C3CCCCC3)S(=O)(=O)C2)CC1
InChIInChI=1S/C17H34N4O2S/c1-18(2)8-9-19-10-12-20(13-11-19)17-14-21(24(22,23)15-17)16-6-4-3-5-7-16/h16-17H,3-15H2,1-2H3
InChIKeyRGMNXOISSNJZQJ-UHFFFAOYSA-N
MW358.55 g/mol
LogP0.51
Rot. Bonds5

About 2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine

2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 51359909) has the molecular formula C17H34N4O2S and a molecular weight of 358.55 g/mol. Its IUPAC name is 2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID51359909
Molecular FormulaC17H34N4O2S
Molecular Weight358.55 g/mol
Exact Mass358.24
IUPAC Name2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(C2CN(C3CCCCC3)S(=O)(=O)C2)CC1
InChIInChI=1S/C17H34N4O2S/c1-18(2)8-9-19-10-12-20(13-11-19)17-14-21(24(22,23)15-17)16-6-4-3-5-7-16/h16-17H,3-15H2,1-2H3
InChIKeyRGMNXOISSNJZQJ-UHFFFAOYSA-N
XLogP0.51
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

2-Butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51359857
2-Cyclohexyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51359915
2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
CID 51360710
2-Butyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359855
2-Cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359912
2-Cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51360713
2-Butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359858
2-Cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359907
2-Cyclohexyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359916
2-Cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51359914
2-Cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51360708
2-Butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51360718

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine (CID 51359909) is 2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(C2CN(C3CCCCC3)S(=O)(=O)C2)CC1.
What is the InChIKey of 2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is RGMNXOISSNJZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2S/c1-18(2)8-9-19-10-12-20(13-11-19)17-14-21(24(22,23)15-17)16-6-4-3-5-7-16/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 358.55 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 51359909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).