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

C11H17BrN4O3S — CID 61299120

IUPAC[5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
SMILESCOC1CCN(S(=O)(=O)c2cc(Br)cnc2NN)CC1
InChIInChI=1S/C11H17BrN4O3S/c1-19-9-2-4-16(5-3-9)20(17,18)10-6-8(12)7-14-11(10)15-13/h6-7,9H,2-5,13H2,1H3,(H,14,15)
InChIKeySVMQCZMNGKBIHA-UHFFFAOYSA-N
MW365.25 g/mol
LogP0.93
Rot. Bonds4

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

[5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine (PubChem CID 61299120) has the molecular formula C11H17BrN4O3S and a molecular weight of 365.25 g/mol. Its IUPAC name is [5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
PubChem CID61299120
Molecular FormulaC11H17BrN4O3S
Molecular Weight365.25 g/mol
Exact Mass364.02
IUPAC Name[5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
SMILESCOC1CCN(S(=O)(=O)c2cc(Br)cnc2NN)CC1
InChIInChI=1S/C11H17BrN4O3S/c1-19-9-2-4-16(5-3-9)20(17,18)10-6-8(12)7-14-11(10)15-13/h6-7,9H,2-5,13H2,1H3,(H,14,15)
InChIKeySVMQCZMNGKBIHA-UHFFFAOYSA-N
XLogP0.93
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 50.93
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-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61298747
1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 61298550
5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine
CID 55870113
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
[5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine
CID 61300085
5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538299
5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide
CID 114119962
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 64582955
5-bromo-2-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 43372850
[1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 112628564
5-bromo-2-hydrazinyl-N-(1-methylpiperidin-4-yl)pyridine-3-sulfonamide
CID 61299121

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
The IUPAC name of [5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine (CID 61299120) is [5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
The canonical SMILES for [5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine is COC1CCN(S(=O)(=O)c2cc(Br)cnc2NN)CC1.
What is the InChIKey of [5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
The InChIKey is SVMQCZMNGKBIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O3S/c1-19-9-2-4-16(5-3-9)20(17,18)10-6-8(12)7-14-11(10)15-13/h6-7,9H,2-5,13H2,1H3,(H,14,15).
What are the key properties of [5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
[5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine has a molecular weight of 365.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine is sourced from PubChem (CID 61299120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).