3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione

C10H14N4O4S — CID 66068550

IUPAC3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C10H14N4O4S/c1-3-7-10(16)12-9(15)5-14(7)19(17,18)8-4-11-13-6(8)2/h4,7H,3,5H2,1-2H3,(H,11,13)(H,12,15,16)
InChIKeyFYFBJUUUABXQOQ-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.86
Rot. Bonds3

About 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione

3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione (PubChem CID 66068550) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione
PubChem CID66068550
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C10H14N4O4S/c1-3-7-10(16)12-9(15)5-14(7)19(17,18)8-4-11-13-6(8)2/h4,7H,3,5H2,1-2H3,(H,11,13)(H,12,15,16)
InChIKeyFYFBJUUUABXQOQ-UHFFFAOYSA-N
XLogP-0.86
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione (CID 66068550) is 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1S(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione?
The InChIKey is FYFBJUUUABXQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S/c1-3-7-10(16)12-9(15)5-14(7)19(17,18)8-4-11-13-6(8)2/h4,7H,3,5H2,1-2H3,(H,11,13)(H,12,15,16).
What are the key properties of 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione?
3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione has a molecular weight of 286.31 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione is sourced from PubChem (CID 66068550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).