3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine

C12H17NO2S2 — CID 2140479

IUPAC3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCSC2)cc1C
InChIInChI=1S/C12H17NO2S2/c1-9-6-11(3)12(7-10(9)2)17(14,15)13-4-5-16-8-13/h6-7H,4-5,8H2,1-3H3
InChIKeyPUWHERWRRXUSPV-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.31
Rot. Bonds2

About 3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine

3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 2140479) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID2140479
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC Name3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCSC2)cc1C
InChIInChI=1S/C12H17NO2S2/c1-9-6-11(3)12(7-10(9)2)17(14,15)13-4-5-16-8-13/h6-7H,4-5,8H2,1-3H3
InChIKeyPUWHERWRRXUSPV-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,3,4,5,6-Pentamethylphenyl)sulfonyl]thiomorpholine
CID 2804956
3-[(4-Tert-butylphenyl)sulfonyl]-1,3-thiazolidine
CID 1236385
4-[(2,3,5,6-Tetramethylphenyl)sulfonyl]thiomorpholine
CID 6462784
3-(3,4-Dimethyl-benzenesulfonyl)-thiazolidine
CID 1084401
1-(2,3,4,5,6-Pentamethylphenyl)sulfonylpyrrolidine
CID 2804566
3-Tosylthiazolidine
CID 2139868
N,N,2,3,5,6-hexamethylbenzenesulfonamide
CID 6463325
N,N-diethyl-2,3,4-trimethylbenzenesulfonamide
CID 802523
N,N-diethyl-2,4,5-trimethylbenzenesulfonamide
CID 802889
1-((2,3,5,6-Tetramethylphenyl)sulfonyl)pyrrolidine
CID 977143
N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2,4,5-trimethylbenzenesulfonamide
CID 129515098
N,2,4,5-tetramethyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 129517002

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine (CID 2140479) is 3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine is Cc1cc(C)c(S(=O)(=O)N2CCSC2)cc1C.
What is the InChIKey of 3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is PUWHERWRRXUSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-9-6-11(3)12(7-10(9)2)17(14,15)13-4-5-16-8-13/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine?
3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 271.41 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,5-trimethylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 2140479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).