3-(4-methylphenyl)sulfonyl-1,3-thiazolidine

C10H13NO2S2 — CID 2139868

IUPAC3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2CCSC2)cc1
InChIInChI=1S/C10H13NO2S2/c1-9-2-4-10(5-3-9)15(12,13)11-6-7-14-8-11/h2-5H,6-8H2,1H3
InChIKeyGXAOBQFXMFHUPZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.69
Rot. Bonds2

About 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine

3-(4-methylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 2139868) has the molecular formula C10H13NO2S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID2139868
Molecular FormulaC10H13NO2S2
Molecular Weight243.35 g/mol
Exact Mass243.04
IUPAC Name3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2CCSC2)cc1
InChIInChI=1S/C10H13NO2S2/c1-9-2-4-10(5-3-9)15(12,13)11-6-7-14-8-11/h2-5H,6-8H2,1H3
InChIKeyGXAOBQFXMFHUPZ-UHFFFAOYSA-N
XLogP1.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine 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

Benzenesulfonamide, N,N,4-trimethyl-
CID 11743
p-Toluenesulfonamide, N,N-diethyl-
CID 69539
N-[bis(methylsulfanyl)methylidene]-4-methylbenzene-1-sulfonamide
CID 319370
4-methyl-N-[methyl(propyl)-lambda~4~-sulfanylidene]benzenesulfonamide
CID 9554254
S,S-dimethyl-N-(p-tolylsulphonyl)sulphoximide
CID 99226
50487-72-4
CID 351447
1-(4-Methylbenzenesulfonyl)aziridine
CID 561274
Ditolamide
CID 208847
4-Tosyl-1,4-thiazepane
CID 373719
p-Toluenesulfonamide, N,N-diisobutyl-
CID 347533
N-(p-Toluenesulfonyl)-3-pyrroline
CID 11138747
4,4-Dimethyl-3-[(4-methylphenyl)sulfonyl]-1,3-thiazolidine-2-thione
CID 792335

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine (CID 2139868) is 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine is Cc1ccc(S(=O)(=O)N2CCSC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is GXAOBQFXMFHUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S2/c1-9-2-4-10(5-3-9)15(12,13)11-6-7-14-8-11/h2-5H,6-8H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
3-(4-methylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 243.35 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 2139868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).