4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione

C11H14N4O4S — CID 66062238

IUPAC4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione
SMILESCCNc1ccncc1S(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H14N4O4S/c1-2-13-8-3-4-12-5-9(8)20(18,19)15-6-10(16)14-11(17)7-15/h3-5H,2,6-7H2,1H3,(H,12,13)(H,14,16,17)
InChIKeyRYUVDHXKAIITEE-UHFFFAOYSA-N
MW298.32 g/mol
LogP-0.84
Rot. Bonds4

About 4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione

4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione (PubChem CID 66062238) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione
PubChem CID66062238
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione
SMILESCCNc1ccncc1S(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H14N4O4S/c1-2-13-8-3-4-12-5-9(8)20(18,19)15-6-10(16)14-11(17)7-15/h3-5H,2,6-7H2,1H3,(H,12,13)(H,14,16,17)
InChIKeyRYUVDHXKAIITEE-UHFFFAOYSA-N
XLogP-0.84
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione?
The IUPAC name of 4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione (CID 66062238) is 4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione?
The canonical SMILES for 4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione is CCNc1ccncc1S(=O)(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione?
The InChIKey is RYUVDHXKAIITEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-2-13-8-3-4-12-5-9(8)20(18,19)15-6-10(16)14-11(17)7-15/h3-5H,2,6-7H2,1H3,(H,12,13)(H,14,16,17).
What are the key properties of 4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione?
4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione has a molecular weight of 298.32 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione is sourced from PubChem (CID 66062238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).