3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C12H20N2O5S2 — CID 43359164

IUPAC3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CSCC2C(=O)O)CC1
InChIInChI=1S/C12H20N2O5S2/c1-2-21(18,19)13-5-3-9(4-6-13)11(15)14-8-20-7-10(14)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyCPECMLCLZWTOBX-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.03
Rot. Bonds4

About 3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359164) has the molecular formula C12H20N2O5S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359164
Molecular FormulaC12H20N2O5S2
Molecular Weight336.44 g/mol
Exact Mass336.08
IUPAC Name3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CSCC2C(=O)O)CC1
InChIInChI=1S/C12H20N2O5S2/c1-2-21(18,19)13-5-3-9(4-6-13)11(15)14-8-20-7-10(14)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyCPECMLCLZWTOBX-UHFFFAOYSA-N
XLogP0.03
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

(4R)-3-(1-acetylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144327
(4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61145275
3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24703125
(4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143598
1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 75428768
(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143597
3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61407362
3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359328
1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003863
cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42745619
3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62758263
3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 107175135

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43359164) is 3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCS(=O)(=O)N1CCC(C(=O)N2CSCC2C(=O)O)CC1.
What is the InChIKey of 3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CPECMLCLZWTOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S2/c1-2-21(18,19)13-5-3-9(4-6-13)11(15)14-8-20-7-10(14)12(16)17/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 336.44 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).