(6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione

C15H12BrNO2S — CID 125484913

IUPAC(6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione
SMILESO=C1CC(=O)N[C@@](c2ccc(Br)cc2)(c2ccsc2)C1
InChIInChI=1S/C15H12BrNO2S/c16-12-3-1-10(2-4-12)15(11-5-6-20-9-11)8-13(18)7-14(19)17-15/h1-6,9H,7-8H2,(H,17,19)/t15-/m0/s1
InChIKeyLSBJOTHIHSFZTR-HNNXBMFYSA-N
MW350.24 g/mol
LogP3.23
Rot. Bonds2

About (6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione

(6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione (PubChem CID 125484913) has the molecular formula C15H12BrNO2S and a molecular weight of 350.24 g/mol. Its IUPAC name is (6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione.

Molecular Properties

Compound Name(6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione
PubChem CID125484913
Molecular FormulaC15H12BrNO2S
Molecular Weight350.24 g/mol
Exact Mass348.98
IUPAC Name(6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione
SMILESO=C1CC(=O)N[C@@](c2ccc(Br)cc2)(c2ccsc2)C1
InChIInChI=1S/C15H12BrNO2S/c16-12-3-1-10(2-4-12)15(11-5-6-20-9-11)8-13(18)7-14(19)17-15/h1-6,9H,7-8H2,(H,17,19)/t15-/m0/s1
InChIKeyLSBJOTHIHSFZTR-HNNXBMFYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione?
The IUPAC name of (6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione (CID 125484913) is (6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione.
What is the SMILES notation for (6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione?
The canonical SMILES for (6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione is O=C1CC(=O)N[C@@](c2ccc(Br)cc2)(c2ccsc2)C1.
What is the InChIKey of (6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione?
The InChIKey is LSBJOTHIHSFZTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H12BrNO2S/c16-12-3-1-10(2-4-12)15(11-5-6-20-9-11)8-13(18)7-14(19)17-15/h1-6,9H,7-8H2,(H,17,19)/t15-/m0/s1.
What are the key properties of (6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione?
(6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione has a molecular weight of 350.24 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-bromophenyl)-6-thiophen-3-ylpiperidine-2,4-dione is sourced from PubChem (CID 125484913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).