methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate

C11H18N2O4S2 — CID 11833733

IUPACmethyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSCN1CN1CSC[C@H]1C(=O)OC
InChIInChI=1S/C11H18N2O4S2/c1-16-10(14)8-3-18-6-12(8)5-13-7-19-4-9(13)11(15)17-2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyWAWSFVUIOXJSCS-IUCAKERBSA-N
MW306.41 g/mol
LogP0.04
Rot. Bonds4

About methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate

methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 11833733) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate
PubChem CID11833733
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Namemethyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSCN1CN1CSC[C@H]1C(=O)OC
InChIInChI=1S/C11H18N2O4S2/c1-16-10(14)8-3-18-6-12(8)5-13-7-19-4-9(13)11(15)17-2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyWAWSFVUIOXJSCS-IUCAKERBSA-N
XLogP0.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate with MolForge

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Related Compounds

methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate
CID 86153682
methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate
CID 3023680
methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate
CID 20624262
methyl 3-benzyl-1,3-thiazolidine-4-carboxylate;3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 159766642
methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate
CID 67755279
methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate
CID 14548324
ethyl 3-hexyl-1,3-thiazolidine-4-carboxylate
CID 3762108
methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 15052278
methyl (4S)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carboxylate
CID 7997286
methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate
CID 95989117
methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110190161
methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate
CID 71410127

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate (CID 11833733) is methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CSCN1CN1CSC[C@H]1C(=O)OC.
What is the InChIKey of methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is WAWSFVUIOXJSCS-IUCAKERBSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-16-10(14)8-3-18-6-12(8)5-13-7-19-4-9(13)11(15)17-2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate?
methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 11833733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).