4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+)

C7H8NO3RbS — CID 143200648

IUPAC4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+)
SMILESCC(=O)C1CC(=O)N([S-])C(=O)C1.[Rb+]
InChIInChI=1S/C7H8NO3S.Rb/c1-4(9)5-2-6(10)8(12)7(11)3-5;/h5H,2-3H2,1H3;/q-1;+1
InChIKeyFJCYUYCGWUXTQV-UHFFFAOYSA-N
MW271.68 g/mol
LogP-3.19
Rot. Bonds1

About 4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+)

4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+) (PubChem CID 143200648) has the molecular formula C7H8NO3RbS and a molecular weight of 271.68 g/mol. Its IUPAC name is 4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+).

Molecular Properties

Compound Name4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+)
PubChem CID143200648
Molecular FormulaC7H8NO3RbS
Molecular Weight271.68 g/mol
Exact Mass270.93
IUPAC Name4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+)
SMILESCC(=O)C1CC(=O)N([S-])C(=O)C1.[Rb+]
InChIInChI=1S/C7H8NO3S.Rb/c1-4(9)5-2-6(10)8(12)7(11)3-5;/h5H,2-3H2,1H3;/q-1;+1
InChIKeyFJCYUYCGWUXTQV-UHFFFAOYSA-N
XLogP-3.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 5-3.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

4-Acetylpiperidine-2,6-dione
CID 58664348
4-Acetylpiperidin-1-ide-2,6-dione;rubidium(1+)
CID 143200660
3-Methyl-1-sulfanylpiperidine-2,6-dione
CID 163267461
4-Acetyl-1-sulfidopiperidine-2,6-dione
CID 143200649

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+)?
The IUPAC name of 4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+) (CID 143200648) is 4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+).
What is the SMILES notation for 4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+)?
The canonical SMILES for 4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+) is CC(=O)C1CC(=O)N([S-])C(=O)C1.[Rb+].
What is the InChIKey of 4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+)?
The InChIKey is FJCYUYCGWUXTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO3S.Rb/c1-4(9)5-2-6(10)8(12)7(11)3-5;/h5H,2-3H2,1H3;/q-1;+1.
What are the key properties of 4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+)?
4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+) has a molecular weight of 271.68 g/mol, XLogP of -3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-sulfidopiperidine-2,6-dione;rubidium(1+) is sourced from PubChem (CID 143200648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).