4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one

C11H16N4O3S — CID 63604435

IUPAC4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C11H16N4O3S/c1-2-9-11(16)13-5-6-15(9)19(17,18)8-3-4-10(12)14-7-8/h3-4,7,9H,2,5-6H2,1H3,(H2,12,14)(H,13,16)
InChIKeyCOTFNTXXBWTMCW-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.44
Rot. Bonds3

About 4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one

4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one (PubChem CID 63604435) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one
PubChem CID63604435
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C11H16N4O3S/c1-2-9-11(16)13-5-6-15(9)19(17,18)8-3-4-10(12)14-7-8/h3-4,7,9H,2,5-6H2,1H3,(H2,12,14)(H,13,16)
InChIKeyCOTFNTXXBWTMCW-UHFFFAOYSA-N
XLogP-0.44
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one (CID 63604435) is 4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1S(=O)(=O)c1ccc(N)nc1.
What is the InChIKey of 4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one?
The InChIKey is COTFNTXXBWTMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-2-9-11(16)13-5-6-15(9)19(17,18)8-3-4-10(12)14-7-8/h3-4,7,9H,2,5-6H2,1H3,(H2,12,14)(H,13,16).
What are the key properties of 4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one?
4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one has a molecular weight of 284.34 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 63604435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).