methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate

C11H16N2O4S — CID 87278185

IUPACmethyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(N2C(=O)CSC2=O)CCN(C)CC1
InChIInChI=1S/C11H16N2O4S/c1-12-5-3-11(4-6-12,9(15)17-2)13-8(14)7-18-10(13)16/h3-7H2,1-2H3
InChIKeyXQSVIWHMOLNPCM-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.32
Rot. Bonds2

About methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate

methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate (PubChem CID 87278185) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate
PubChem CID87278185
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(N2C(=O)CSC2=O)CCN(C)CC1
InChIInChI=1S/C11H16N2O4S/c1-12-5-3-11(4-6-12,9(15)17-2)13-8(14)7-18-10(13)16/h3-7H2,1-2H3
InChIKeyXQSVIWHMOLNPCM-UHFFFAOYSA-N
XLogP0.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1-O-tert-butyl 4-O-methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1,4-dicarboxylate
CID 87277997
4-O-methyl 1-O-(2-methylpropyl) 4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1,4-dicarboxylate
CID 87277998
Methyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)-1-methylpiperidine-4-carboxylate
CID 123301336
Methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxylate
CID 43407253
Methyl 1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-4-carboxylate
CID 43408418

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate (CID 87278185) is methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate is COC(=O)C1(N2C(=O)CSC2=O)CCN(C)CC1.
What is the InChIKey of methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate?
The InChIKey is XQSVIWHMOLNPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-12-5-3-11(4-6-12,9(15)17-2)13-8(14)7-18-10(13)16/h3-7H2,1-2H3.
What are the key properties of methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate?
methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 87278185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).