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

C11H15N5O4S — CID 103301737

IUPAC3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1S(=O)(=O)c1ncccc1NN
InChIInChI=1S/C11H15N5O4S/c1-2-8-10(18)14-9(17)6-16(8)21(19,20)11-7(15-12)4-3-5-13-11/h3-5,8,15H,2,6,12H2,1H3,(H,14,17,18)
InChIKeyYUAANGRJVRMXBS-UHFFFAOYSA-N
MW313.34 g/mol
LogP-1.21
Rot. Bonds4

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

3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione (PubChem CID 103301737) has the molecular formula C11H15N5O4S and a molecular weight of 313.34 g/mol. Its IUPAC name is 3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione
PubChem CID103301737
Molecular FormulaC11H15N5O4S
Molecular Weight313.34 g/mol
Exact Mass313.08
IUPAC Name3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1S(=O)(=O)c1ncccc1NN
InChIInChI=1S/C11H15N5O4S/c1-2-8-10(18)14-9(17)6-16(8)21(19,20)11-7(15-12)4-3-5-13-11/h3-5,8,15H,2,6,12H2,1H3,(H,14,17,18)
InChIKeyYUAANGRJVRMXBS-UHFFFAOYSA-N
XLogP-1.21
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione (CID 103301737) is 3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1S(=O)(=O)c1ncccc1NN.
What is the InChIKey of 3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione?
The InChIKey is YUAANGRJVRMXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4S/c1-2-8-10(18)14-9(17)6-16(8)21(19,20)11-7(15-12)4-3-5-13-11/h3-5,8,15H,2,6,12H2,1H3,(H,14,17,18).
What are the key properties of 3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione?
3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione has a molecular weight of 313.34 g/mol, XLogP of -1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]piperazine-2,6-dione is sourced from PubChem (CID 103301737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).