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

C11H15NO3S2 — CID 1236387

IUPAC3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2)cc1C
InChIInChI=1S/C11H15NO3S2/c1-9-7-10(3-4-11(9)15-2)17(13,14)12-5-6-16-8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyFYAUUCDPONNRRM-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.70
Rot. Bonds3

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

3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 1236387) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID1236387
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2)cc1C
InChIInChI=1S/C11H15NO3S2/c1-9-7-10(3-4-11(9)15-2)17(13,14)12-5-6-16-8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyFYAUUCDPONNRRM-UHFFFAOYSA-N
XLogP1.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-thiazolidine (CID 1236387) is 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-thiazolidine is COc1ccc(S(=O)(=O)N2CCSC2)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is FYAUUCDPONNRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-9-7-10(3-4-11(9)15-2)17(13,14)12-5-6-16-8-12/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-thiazolidine?
3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 273.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 1236387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).