3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one

C11H19N3O2S — CID 119493471

IUPAC3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
SMILESCNC1CCCN(C(=O)CN2CCSC2=O)C1
InChIInChI=1S/C11H19N3O2S/c1-12-9-3-2-4-13(7-9)10(15)8-14-5-6-17-11(14)16/h9,12H,2-8H2,1H3
InChIKeyMDVQKMYWIKWHOR-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.37
Rot. Bonds3

About 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one

3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one (PubChem CID 119493471) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
PubChem CID119493471
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
SMILESCNC1CCCN(C(=O)CN2CCSC2=O)C1
InChIInChI=1S/C11H19N3O2S/c1-12-9-3-2-4-13(7-9)10(15)8-14-5-6-17-11(14)16/h9,12H,2-8H2,1H3
InChIKeyMDVQKMYWIKWHOR-UHFFFAOYSA-N
XLogP0.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one (CID 119493471) is 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one is CNC1CCCN(C(=O)CN2CCSC2=O)C1.
What is the InChIKey of 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one?
The InChIKey is MDVQKMYWIKWHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-12-9-3-2-4-13(7-9)10(15)8-14-5-6-17-11(14)16/h9,12H,2-8H2,1H3.
What are the key properties of 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one?
3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one has a molecular weight of 257.36 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 119493471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).