3-(4-methoxy-3-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine

C12H17NO3S2 — CID 5153059

IUPAC3-(4-methoxy-3-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2C)cc1C
InChIInChI=1S/C12H17NO3S2/c1-9-8-11(4-5-12(9)16-3)18(14,15)13-6-7-17-10(13)2/h4-5,8,10H,6-7H2,1-3H3
InChIKeyPSBRPRZRBIELPS-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.09
Rot. Bonds3

About 3-(4-methoxy-3-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine

3-(4-methoxy-3-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine (PubChem CID 5153059) has the molecular formula C12H17NO3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine
PubChem CID5153059
Molecular FormulaC12H17NO3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name3-(4-methoxy-3-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2C)cc1C
InChIInChI=1S/C12H17NO3S2/c1-9-8-11(4-5-12(9)16-3)18(14,15)13-6-7-17-10(13)2/h4-5,8,10H,6-7H2,1-3H3
InChIKeyPSBRPRZRBIELPS-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.09
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-2-methyl-1,3-thiazolidine?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine (CID 5153059) is 3-(4-methoxy-3-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine is COc1ccc(S(=O)(=O)N2CCSC2C)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine?
The InChIKey is PSBRPRZRBIELPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S2/c1-9-8-11(4-5-12(9)16-3)18(14,15)13-6-7-17-10(13)2/h4-5,8,10H,6-7H2,1-3H3.
What are the key properties of 3-(4-methoxy-3-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine?
3-(4-methoxy-3-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine has a molecular weight of 287.41 g/mol, XLogP of 2.09, 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-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 5153059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).