2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine

C12H17NO4S2 — CID 3151547

IUPAC2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine
SMILESCOc1ccc(OC)c(C2SCCN2S(C)(=O)=O)c1
InChIInChI=1S/C12H17NO4S2/c1-16-9-4-5-11(17-2)10(8-9)12-13(6-7-18-12)19(3,14)15/h4-5,8,12H,6-7H2,1-3H3
InChIKeyPHOFBIKRIZAPAP-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.71
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine

2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine (PubChem CID 3151547) has the molecular formula C12H17NO4S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine
PubChem CID3151547
Molecular FormulaC12H17NO4S2
Molecular Weight303.41 g/mol
Exact Mass303.06
IUPAC Name2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine
SMILESCOc1ccc(OC)c(C2SCCN2S(C)(=O)=O)c1
InChIInChI=1S/C12H17NO4S2/c1-16-9-4-5-11(17-2)10(8-9)12-13(6-7-18-12)19(3,14)15/h4-5,8,12H,6-7H2,1-3H3
InChIKeyPHOFBIKRIZAPAP-UHFFFAOYSA-N
XLogP1.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine (CID 3151547) is 2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine is COc1ccc(OC)c(C2SCCN2S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine?
The InChIKey is PHOFBIKRIZAPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-16-9-4-5-11(17-2)10(8-9)12-13(6-7-18-12)19(3,14)15/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine?
2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine has a molecular weight of 303.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine is sourced from PubChem (CID 3151547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).