methyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate

C11H16N2O4S — CID 43623608

IUPACmethyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CSC(=O)N2)CC1
InChIInChI=1S/C11H16N2O4S/c1-17-10(15)7-2-4-13(5-3-7)9(14)8-6-18-11(16)12-8/h7-8H,2-6H2,1H3,(H,12,16)
InChIKeyNYMFUNWNOBCPOZ-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.22
Rot. Bonds2

About methyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate

methyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 43623608) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
PubChem CID43623608
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CSC(=O)N2)CC1
InChIInChI=1S/C11H16N2O4S/c1-17-10(15)7-2-4-13(5-3-7)9(14)8-6-18-11(16)12-8/h7-8H,2-6H2,1H3,(H,12,16)
InChIKeyNYMFUNWNOBCPOZ-UHFFFAOYSA-N
XLogP0.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate (CID 43623608) is methyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C2CSC(=O)N2)CC1.
What is the InChIKey of methyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is NYMFUNWNOBCPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-17-10(15)7-2-4-13(5-3-7)9(14)8-6-18-11(16)12-8/h7-8H,2-6H2,1H3,(H,12,16).
What are the key properties of methyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
methyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43623608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).