3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide

C9H19N3O2S — CID 67714431

IUPAC3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCC(CCC2CCNCC2)N1
InChIInChI=1S/C9H19N3O2S/c13-15(14)11-7-9(12-15)2-1-8-3-5-10-6-4-8/h8-12H,1-7H2
InChIKeyAVSXGUVBTHLDTM-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.43
Rot. Bonds3

About 3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide

3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 67714431) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID67714431
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCC(CCC2CCNCC2)N1
InChIInChI=1S/C9H19N3O2S/c13-15(14)11-7-9(12-15)2-1-8-3-5-10-6-4-8/h8-12H,1-7H2
InChIKeyAVSXGUVBTHLDTM-UHFFFAOYSA-N
XLogP-0.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 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 3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 67714431) is 3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide is O=S1(=O)NCC(CCC2CCNCC2)N1.
What is the InChIKey of 3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is AVSXGUVBTHLDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c13-15(14)11-7-9(12-15)2-1-8-3-5-10-6-4-8/h8-12H,1-7H2.
What are the key properties of 3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide?
3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 233.34 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 67714431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).