1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione

C12H15NO4S — CID 123186359

IUPAC1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1C(Cc1ccsc1)C(O)O
InChIInChI=1S/C12H15NO4S/c14-10-2-1-3-11(15)13(10)9(12(16)17)6-8-4-5-18-7-8/h4-5,7,9,12,16-17H,1-3,6H2
InChIKeyLPJVYIDDZLXJMO-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.51
Rot. Bonds4

About 1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione

1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione (PubChem CID 123186359) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione
PubChem CID123186359
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1C(Cc1ccsc1)C(O)O
InChIInChI=1S/C12H15NO4S/c14-10-2-1-3-11(15)13(10)9(12(16)17)6-8-4-5-18-7-8/h4-5,7,9,12,16-17H,1-3,6H2
InChIKeyLPJVYIDDZLXJMO-UHFFFAOYSA-N
XLogP0.51
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione?
The IUPAC name of 1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione (CID 123186359) is 1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione?
The canonical SMILES for 1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione is O=C1CCCC(=O)N1C(Cc1ccsc1)C(O)O.
What is the InChIKey of 1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione?
The InChIKey is LPJVYIDDZLXJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-10-2-1-3-11(15)13(10)9(12(16)17)6-8-4-5-18-7-8/h4-5,7,9,12,16-17H,1-3,6H2.
What are the key properties of 1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione?
1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione has a molecular weight of 269.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dihydroxy-3-thiophen-3-ylpropan-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 123186359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).