2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate

C10H17NO4S — CID 66619701

IUPAC2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate
SMILESCOC(=O)C1SCCN1C(=O)OCC(C)C
InChIInChI=1S/C10H17NO4S/c1-7(2)6-15-10(13)11-4-5-16-8(11)9(12)14-3/h7-8H,4-6H2,1-3H3
InChIKeyDXFUADREWRSVOK-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.33
Rot. Bonds3

About 2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate

2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate (PubChem CID 66619701) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate.

Molecular Properties

Compound Name2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate
PubChem CID66619701
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate
SMILESCOC(=O)C1SCCN1C(=O)OCC(C)C
InChIInChI=1S/C10H17NO4S/c1-7(2)6-15-10(13)11-4-5-16-8(11)9(12)14-3/h7-8H,4-6H2,1-3H3
InChIKeyDXFUADREWRSVOK-UHFFFAOYSA-N
XLogP1.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate?
The IUPAC name of 2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate (CID 66619701) is 2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate.
What is the SMILES notation for 2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate?
The canonical SMILES for 2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate is COC(=O)C1SCCN1C(=O)OCC(C)C.
What is the InChIKey of 2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate?
The InChIKey is DXFUADREWRSVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-7(2)6-15-10(13)11-4-5-16-8(11)9(12)14-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate?
2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate has a molecular weight of 247.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate is sourced from PubChem (CID 66619701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).