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

C13H25N3O2S — CID 51360708

IUPAC2-cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCN(C2CN(C3CCCC3)S(=O)(=O)C2)CC1
InChIInChI=1S/C13H25N3O2S/c1-14-6-8-15(9-7-14)13-10-16(19(17,18)11-13)12-4-2-3-5-12/h12-13H,2-11H2,1H3
InChIKeyJVKWIWPQODTFEP-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.19
Rot. Bonds2

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

2-cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360708) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID51360708
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name2-cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCN(C2CN(C3CCCC3)S(=O)(=O)C2)CC1
InChIInChI=1S/C13H25N3O2S/c1-14-6-8-15(9-7-14)13-10-16(19(17,18)11-13)12-4-2-3-5-12/h12-13H,2-11H2,1H3
InChIKeyJVKWIWPQODTFEP-UHFFFAOYSA-N
XLogP0.19
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-Cyclopentyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51360714
1-(Pentan-3-yl)-4-(propylsulfonyl)piperazine
CID 1529500
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-[4-(2-cyclohexyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
CID 51359909
2-Cyclohexyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359916
2-Cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359920
Sdccgsbi-0662591.P001
CID 134791064

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide (CID 51360708) is 2-cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide is CN1CCN(C2CN(C3CCCC3)S(=O)(=O)C2)CC1.
What is the InChIKey of 2-cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is JVKWIWPQODTFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-14-6-8-15(9-7-14)13-10-16(19(17,18)11-13)12-4-2-3-5-12/h12-13H,2-11H2,1H3.
What are the key properties of 2-cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
2-cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 287.43 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).