4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide

C12H20N4O2S — CID 79588479

IUPAC4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC1CN(c2cnn(C3CCNCC3)c2)S(=O)(=O)C1
InChIInChI=1S/C12H20N4O2S/c1-10-7-16(19(17,18)9-10)12-6-14-15(8-12)11-2-4-13-5-3-11/h6,8,10-11,13H,2-5,7,9H2,1H3
InChIKeyXJQAJKOZJQNHCY-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.59
Rot. Bonds2

About 4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide

4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 79588479) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID79588479
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC1CN(c2cnn(C3CCNCC3)c2)S(=O)(=O)C1
InChIInChI=1S/C12H20N4O2S/c1-10-7-16(19(17,18)9-10)12-6-14-15(8-12)11-2-4-13-5-3-11/h6,8,10-11,13H,2-5,7,9H2,1H3
InChIKeyXJQAJKOZJQNHCY-UHFFFAOYSA-N
XLogP0.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide (CID 79588479) is 4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide is CC1CN(c2cnn(C3CCNCC3)c2)S(=O)(=O)C1.
What is the InChIKey of 4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is XJQAJKOZJQNHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-10-7-16(19(17,18)9-10)12-6-14-15(8-12)11-2-4-13-5-3-11/h6,8,10-11,13H,2-5,7,9H2,1H3.
What are the key properties of 4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide?
4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 284.38 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-piperidin-4-ylpyrazol-4-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 79588479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).