dimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate

C9H15NO4S — CID 101020864

IUPACdimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1N[C@@H](C(=O)OC)C(C)(C)S1
InChIInChI=1S/C9H15NO4S/c1-9(2)5(7(11)13-3)10-6(15-9)8(12)14-4/h5-6,10H,1-4H3/t5-,6-/m0/s1
InChIKeyFUEURXDGHNFVHS-WDSKDSINSA-N
MW233.29 g/mol
LogP0.14
Rot. Bonds2

About dimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate

dimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate (PubChem CID 101020864) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is dimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate
PubChem CID101020864
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Namedimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1N[C@@H](C(=O)OC)C(C)(C)S1
InChIInChI=1S/C9H15NO4S/c1-9(2)5(7(11)13-3)10-6(15-9)8(12)14-4/h5-6,10H,1-4H3/t5-,6-/m0/s1
InChIKeyFUEURXDGHNFVHS-WDSKDSINSA-N
XLogP0.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 45082403
(2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 155295725
(4S)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 2725071
Methyl 2-methyl-1,3-thiazolidine-4-carboxylate
CID 14377868
2,5,5-Trimethylthiazolidine-4-carboxylic acid
CID 189933
5,5-Dimethylthiazolidine-2,4-dicarboxylic acid
CID 3035723
ethyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
CID 11651510
(2~{r},4~{r})-2,5,5-Trimethyl-1,3-Thiazolidine-2,4-Dicarboxylic Acid
CID 118987020
(2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 155295724
(2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid
CID 7214349
(2S,4R)-2-methoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 172442491
methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate
CID 18345630

Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate (CID 101020864) is dimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate is COC(=O)[C@H]1N[C@@H](C(=O)OC)C(C)(C)S1.
What is the InChIKey of dimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate?
The InChIKey is FUEURXDGHNFVHS-WDSKDSINSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-9(2)5(7(11)13-3)10-6(15-9)8(12)14-4/h5-6,10H,1-4H3/t5-,6-/m0/s1.
What are the key properties of dimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate?
dimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate has a molecular weight of 233.29 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate is sourced from PubChem (CID 101020864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).