1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine

C12H20BrN5O2S — CID 61298550

IUPAC1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2cc(Br)cnc2NN)CC1
InChIInChI=1S/C12H20BrN5O2S/c1-17(2)10-3-5-18(6-4-10)21(19,20)11-7-9(13)8-15-12(11)16-14/h7-8,10H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyAVODHIALGLQUHF-UHFFFAOYSA-N
MW378.30 g/mol
LogP0.84
Rot. Bonds4

About 1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine

1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 61298550) has the molecular formula C12H20BrN5O2S and a molecular weight of 378.30 g/mol. Its IUPAC name is 1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
PubChem CID61298550
Molecular FormulaC12H20BrN5O2S
Molecular Weight378.30 g/mol
Exact Mass377.05
IUPAC Name1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2cc(Br)cnc2NN)CC1
InChIInChI=1S/C12H20BrN5O2S/c1-17(2)10-3-5-18(6-4-10)21(19,20)11-7-9(13)8-15-12(11)16-14/h7-8,10H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyAVODHIALGLQUHF-UHFFFAOYSA-N
XLogP0.84
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 50.84
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-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
CID 106836374
[5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61298747
[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
1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 60986320
5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 63656152
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83025691
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61299703
1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine
CID 63541851
5-bromo-2-hydrazinyl-N-(1-methylpiperidin-4-yl)pyridine-3-sulfonamide
CID 61299121
[5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 83218746

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine (CID 61298550) is 1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(S(=O)(=O)c2cc(Br)cnc2NN)CC1.
What is the InChIKey of 1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is AVODHIALGLQUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5O2S/c1-17(2)10-3-5-18(6-4-10)21(19,20)11-7-9(13)8-15-12(11)16-14/h7-8,10H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of 1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine?
1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 378.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 61298550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).