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

C11H15NO2S2 — CID 1084401

IUPAC3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2CCSC2)cc1C
InChIInChI=1S/C11H15NO2S2/c1-9-3-4-11(7-10(9)2)16(13,14)12-5-6-15-8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyMUQOHJFSVOWBKN-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.00
Rot. Bonds2

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

3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 1084401) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID1084401
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC Name3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2CCSC2)cc1C
InChIInChI=1S/C11H15NO2S2/c1-9-3-4-11(7-10(9)2)16(13,14)12-5-6-15-8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyMUQOHJFSVOWBKN-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Dimethyl-3-[(4-methylphenyl)sulfonyl]-1,3-thiazolidine-2-thione
CID 792335
N,N-diethyl-3,4-dimethylbenzenesulfonamide
CID 883188
3-[(4-Tert-butylphenyl)sulfonyl]-1,3-thiazolidine
CID 1236385
3-(1-Naphthylsulfonyl)-1,3-thiazolidine
CID 1311300
2-Methyl-3-(2-naphthylsulfonyl)-1,3-thiazolidine
CID 9549714
1-[3-(Methylsulfanylmethyl)phenyl]sulfonylpyrrolidine
CID 71688901
1-((3,4-Dimethylphenyl)sulfonyl)-4-(methylsulfonyl)piperidine
CID 71805707
3-Tosylthiazolidine
CID 2139868
2,2-Dibutyl-3-(p-tolylsulfonyl)-1,3,2-thiazastannolidine
CID 9562720
(3,4-xylylsulfonyl)[(S)-1,1-dioxo-1lambda-tetrahydro-3H-thien-3-yl]amine
CID 7260452
3-Tosylthiazolidine-2-thione
CID 125492446
N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17410005

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidine (CID 1084401) is 3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidine is Cc1ccc(S(=O)(=O)N2CCSC2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is MUQOHJFSVOWBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c1-9-3-4-11(7-10(9)2)16(13,14)12-5-6-15-8-12/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidine?
3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 257.38 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 1084401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).