(4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C12H20N2O5S2 — CID 61145275

IUPAC(4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O5S2/c1-2-6-21(18,19)14-5-3-4-9(14)11(15)13-8-20-7-10(13)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t9?,10-/m0/s1
InChIKeyBZDWEQXGOFRDOT-AXDSSHIGSA-N
MW336.44 g/mol
LogP0.18
Rot. Bonds5

About (4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61145275) has the molecular formula C12H20N2O5S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61145275
Molecular FormulaC12H20N2O5S2
Molecular Weight336.44 g/mol
Exact Mass336.08
IUPAC Name(4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O5S2/c1-2-6-21(18,19)14-5-3-4-9(14)11(15)13-8-20-7-10(13)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t9?,10-/m0/s1
InChIKeyBZDWEQXGOFRDOT-AXDSSHIGSA-N
XLogP0.18
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-3-(1-propylsulfonylpyrrolidine-2-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

(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359164
(4R)-3-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143191
azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid
CID 114422080
3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24703125
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61159483
[(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone
CID 146129267
(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 114680203
(2R)-1-(3-methylbutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78952354
(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143597

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 61145275) is (4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCCS(=O)(=O)N1CCCC1C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BZDWEQXGOFRDOT-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H20N2O5S2/c1-2-6-21(18,19)14-5-3-4-9(14)11(15)13-8-20-7-10(13)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)/t9?,10-/m0/s1.
What are the key properties of (4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 336.44 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61145275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).