4-acetyl-1-sulfidopiperidine-2,6-dione

C7H8NO3S- — CID 143200649

IUPAC4-acetyl-1-sulfidopiperidine-2,6-dione
SMILESCC(=O)C1CC(=O)N([S-])C(=O)C1
InChIInChI=1S/C7H8NO3S/c1-4(9)5-2-6(10)8(12)7(11)3-5/h5H,2-3H2,1H3/q-1
InChIKeyXBYJHFUAPUDGHJ-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.20
Rot. Bonds1

About 4-acetyl-1-sulfidopiperidine-2,6-dione

4-acetyl-1-sulfidopiperidine-2,6-dione (PubChem CID 143200649) has the molecular formula C7H8NO3S- and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-acetyl-1-sulfidopiperidine-2,6-dione.

Molecular Properties

Compound Name4-acetyl-1-sulfidopiperidine-2,6-dione
PubChem CID143200649
Molecular FormulaC7H8NO3S-
Molecular Weight186.21 g/mol
Exact Mass186.02
IUPAC Name4-acetyl-1-sulfidopiperidine-2,6-dione
SMILESCC(=O)C1CC(=O)N([S-])C(=O)C1
InChIInChI=1S/C7H8NO3S/c1-4(9)5-2-6(10)8(12)7(11)3-5/h5H,2-3H2,1H3/q-1
InChIKeyXBYJHFUAPUDGHJ-UHFFFAOYSA-N
XLogP-0.20
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.20
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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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-sulfidopiperidine-2,6-dione?
The IUPAC name of 4-acetyl-1-sulfidopiperidine-2,6-dione (CID 143200649) is 4-acetyl-1-sulfidopiperidine-2,6-dione.
What is the SMILES notation for 4-acetyl-1-sulfidopiperidine-2,6-dione?
The canonical SMILES for 4-acetyl-1-sulfidopiperidine-2,6-dione is CC(=O)C1CC(=O)N([S-])C(=O)C1.
What is the InChIKey of 4-acetyl-1-sulfidopiperidine-2,6-dione?
The InChIKey is XBYJHFUAPUDGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO3S/c1-4(9)5-2-6(10)8(12)7(11)3-5/h5H,2-3H2,1H3/q-1.
What are the key properties of 4-acetyl-1-sulfidopiperidine-2,6-dione?
4-acetyl-1-sulfidopiperidine-2,6-dione has a molecular weight of 186.21 g/mol, XLogP of -0.20, 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 is sourced from PubChem (CID 143200649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).