[5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine

C12H19BrN4O3S — CID 61298747

IUPAC[5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
SMILESCCOC1CCN(S(=O)(=O)c2cc(Br)cnc2NN)CC1
InChIInChI=1S/C12H19BrN4O3S/c1-2-20-10-3-5-17(6-4-10)21(18,19)11-7-9(13)8-15-12(11)16-14/h7-8,10H,2-6,14H2,1H3,(H,15,16)
InChIKeyWEFJGDFQSNASAP-UHFFFAOYSA-N
MW379.28 g/mol
LogP1.32
Rot. Bonds5

About [5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine

[5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine (PubChem CID 61298747) has the molecular formula C12H19BrN4O3S and a molecular weight of 379.28 g/mol. Its IUPAC name is [5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
PubChem CID61298747
Molecular FormulaC12H19BrN4O3S
Molecular Weight379.28 g/mol
Exact Mass378.04
IUPAC Name[5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
SMILESCCOC1CCN(S(=O)(=O)c2cc(Br)cnc2NN)CC1
InChIInChI=1S/C12H19BrN4O3S/c1-2-20-10-3-5-17(6-4-10)21(18,19)11-7-9(13)8-15-12(11)16-14/h7-8,10H,2-6,14H2,1H3,(H,15,16)
InChIKeyWEFJGDFQSNASAP-UHFFFAOYSA-N
XLogP1.32
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
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

[5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61299120
1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 61298550
1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
CID 106836374
[5-bromo-3-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61301039
4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61220131
[5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine
CID 61300085
[5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 61329704
[5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 83218746
5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626897
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-5-bromo-N-ethylpyridin-2-amine
CID 115561618
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 64582955
5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine
CID 55870113

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
The IUPAC name of [5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine (CID 61298747) is [5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
The canonical SMILES for [5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine is CCOC1CCN(S(=O)(=O)c2cc(Br)cnc2NN)CC1.
What is the InChIKey of [5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
The InChIKey is WEFJGDFQSNASAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O3S/c1-2-20-10-3-5-17(6-4-10)21(18,19)11-7-9(13)8-15-12(11)16-14/h7-8,10H,2-6,14H2,1H3,(H,15,16).
What are the key properties of [5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
[5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine has a molecular weight of 379.28 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine is sourced from PubChem (CID 61298747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).