3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one

C11H17N5O3S — CID 63603348

IUPAC3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)c1cccnc1NN
InChIInChI=1S/C11H17N5O3S/c1-2-8-11(17)14-6-7-16(8)20(18,19)9-4-3-5-13-10(9)15-12/h3-5,8H,2,6-7,12H2,1H3,(H,13,15)(H,14,17)
InChIKeyQLRAKKRGWSPNRI-UHFFFAOYSA-N
MW299.36 g/mol
LogP-0.73
Rot. Bonds4

About 3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one

3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one (PubChem CID 63603348) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one
PubChem CID63603348
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC Name3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)c1cccnc1NN
InChIInChI=1S/C11H17N5O3S/c1-2-8-11(17)14-6-7-16(8)20(18,19)9-4-3-5-13-10(9)15-12/h3-5,8H,2,6-7,12H2,1H3,(H,13,15)(H,14,17)
InChIKeyQLRAKKRGWSPNRI-UHFFFAOYSA-N
XLogP-0.73
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-ethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 60974921
[3-(3-ethylmorpholin-4-yl)sulfonyl-2-pyridinyl]hydrazine
CID 43613582
3-ethyl-4-(2-nitrophenyl)sulfonylpiperazin-2-one
CID 63600532
N,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine
CID 63539689
[1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781987
3-ethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one
CID 63601722
[3-(4-methylsulfonylpiperazin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 62992566
1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine
CID 63541851
4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one
CID 63604435
4-(5-amino-2-methylphenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600786
1-[1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 112626122
3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 63604777

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one (CID 63603348) is 3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one is CCC1C(=O)NCCN1S(=O)(=O)c1cccnc1NN.
What is the InChIKey of 3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one?
The InChIKey is QLRAKKRGWSPNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-2-8-11(17)14-6-7-16(8)20(18,19)9-4-3-5-13-10(9)15-12/h3-5,8H,2,6-7,12H2,1H3,(H,13,15)(H,14,17).
What are the key properties of 3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one?
3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one has a molecular weight of 299.36 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one is sourced from PubChem (CID 63603348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).