4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione

C11H14N4O4S — CID 66069947

IUPAC4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1S(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C11H14N4O4S/c1-2-8-11(17)14-10(16)6-15(8)20(18,19)7-3-4-13-9(12)5-7/h3-5,8H,2,6H2,1H3,(H2,12,13)(H,14,16,17)
InChIKeyFUGZKRABKABLAK-UHFFFAOYSA-N
MW298.32 g/mol
LogP-0.91
Rot. Bonds3

About 4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione

4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione (PubChem CID 66069947) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione
PubChem CID66069947
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1S(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C11H14N4O4S/c1-2-8-11(17)14-10(16)6-15(8)20(18,19)7-3-4-13-9(12)5-7/h3-5,8H,2,6H2,1H3,(H2,12,13)(H,14,16,17)
InChIKeyFUGZKRABKABLAK-UHFFFAOYSA-N
XLogP-0.91
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione
CID 66067065
4-(3-chlorophenyl)sulfonyl-3-ethylpiperazine-2,6-dione
CID 66070097
4-(5-amino-2-chlorophenyl)sulfonyl-3-ethylpiperazine-2,6-dione
CID 66069437
3-ethyl-4-[4-(methylamino)phenyl]sulfonylpiperazine-2,6-dione
CID 66068785
3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione
CID 103301737
4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-3-ethylpiperazine-2,6-dione
CID 66067321
4-(2-amino-4-fluorophenyl)sulfonyl-3-ethylpiperazine-2,6-dione
CID 66067127
4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one
CID 63604435
2-ethyl-3,5-dioxopiperazine-1-sulfonamide
CID 66067408
4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione
CID 66063132
4-[(4-chloro-3-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione
CID 66068360
4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione
CID 66067592

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione (CID 66069947) is 4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1S(=O)(=O)c1ccnc(N)c1.
What is the InChIKey of 4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione?
The InChIKey is FUGZKRABKABLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-2-8-11(17)14-10(16)6-15(8)20(18,19)7-3-4-13-9(12)5-7/h3-5,8H,2,6H2,1H3,(H2,12,13)(H,14,16,17).
What are the key properties of 4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione?
4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione has a molecular weight of 298.32 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66069947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).