dimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate

C15H24N2O6S — CID 7100497

IUPACdimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H24N2O6S/c1-9-5-16(6-10(2)23-9)7-12(18)17-11(14(19)21-3)8-24-13(17)15(20)22-4/h9-11,13H,5-8H2,1-4H3/t9-,10+,11-,13-/m0/s1
InChIKeyGEGYLONAGRQFRK-NOHGZBONSA-N
MW360.43 g/mol
LogP-0.29
Rot. Bonds4

About dimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate

dimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate (PubChem CID 7100497) has the molecular formula C15H24N2O6S and a molecular weight of 360.43 g/mol. Its IUPAC name is dimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate
PubChem CID7100497
Molecular FormulaC15H24N2O6S
Molecular Weight360.43 g/mol
Exact Mass360.14
IUPAC Namedimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H24N2O6S/c1-9-5-16(6-10(2)23-9)7-12(18)17-11(14(19)21-3)8-24-13(17)15(20)22-4/h9-11,13H,5-8H2,1-4H3/t9-,10+,11-,13-/m0/s1
InChIKeyGEGYLONAGRQFRK-NOHGZBONSA-N
XLogP-0.29
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate (CID 7100497) is dimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate is COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of dimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate?
The InChIKey is GEGYLONAGRQFRK-NOHGZBONSA-N. The full InChI is InChI=1S/C15H24N2O6S/c1-9-5-16(6-10(2)23-9)7-12(18)17-11(14(19)21-3)8-24-13(17)15(20)22-4/h9-11,13H,5-8H2,1-4H3/t9-,10+,11-,13-/m0/s1.
What are the key properties of dimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate?
dimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate has a molecular weight of 360.43 g/mol, XLogP of -0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,4R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-thiazolidine-2,4-dicarboxylate is sourced from PubChem (CID 7100497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).