4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione

C9H9N3O5S — CID 66063399

IUPAC4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2ccc(=O)[nH]c2)CC(=O)N1
InChIInChI=1S/C9H9N3O5S/c13-7-2-1-6(3-10-7)18(16,17)12-4-8(14)11-9(15)5-12/h1-3H,4-5H2,(H,10,13)(H,11,14,15)
InChIKeySEYGVUXDJPUCQR-UHFFFAOYSA-N
MW271.25 g/mol
LogP-1.98
Rot. Bonds2

About 4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione

4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione (PubChem CID 66063399) has the molecular formula C9H9N3O5S and a molecular weight of 271.25 g/mol. Its IUPAC name is 4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione
PubChem CID66063399
Molecular FormulaC9H9N3O5S
Molecular Weight271.25 g/mol
Exact Mass271.03
IUPAC Name4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2ccc(=O)[nH]c2)CC(=O)N1
InChIInChI=1S/C9H9N3O5S/c13-7-2-1-6(3-10-7)18(16,17)12-4-8(14)11-9(15)5-12/h1-3H,4-5H2,(H,10,13)(H,11,14,15)
InChIKeySEYGVUXDJPUCQR-UHFFFAOYSA-N
XLogP-1.98
TPSA116.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 5-1.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63162212
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 107877559
5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 107405922
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 63174689
4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione
CID 82843665
5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 107394155
6-oxo-1H-pyridine-3-sulfonyl fluoride
CID 138040660
5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63174821
5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
CID 60959349
4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]piperazine-2,6-dione
CID 66063379
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyridin-2-one
CID 54877089
4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione
CID 66062795

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione?
The IUPAC name of 4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione (CID 66063399) is 4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione?
The canonical SMILES for 4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione is O=C1CN(S(=O)(=O)c2ccc(=O)[nH]c2)CC(=O)N1.
What is the InChIKey of 4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione?
The InChIKey is SEYGVUXDJPUCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O5S/c13-7-2-1-6(3-10-7)18(16,17)12-4-8(14)11-9(15)5-12/h1-3H,4-5H2,(H,10,13)(H,11,14,15).
What are the key properties of 4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione?
4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione has a molecular weight of 271.25 g/mol, XLogP of -1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione is sourced from PubChem (CID 66063399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).