[1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine

C9H14BrN3O2S — CID 114984828

IUPAC[1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine
SMILESCS(=O)(=O)CCC(NN)c1cncc(Br)c1
InChIInChI=1S/C9H14BrN3O2S/c1-16(14,15)3-2-9(13-11)7-4-8(10)6-12-5-7/h4-6,9,13H,2-3,11H2,1H3
InChIKeyVWLMZFLEHFLYCN-UHFFFAOYSA-N
MW308.20 g/mol
LogP0.78
Rot. Bonds5

About [1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine

[1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine (PubChem CID 114984828) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is [1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine
PubChem CID114984828
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC Name[1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine
SMILESCS(=O)(=O)CCC(NN)c1cncc(Br)c1
InChIInChI=1S/C9H14BrN3O2S/c1-16(14,15)3-2-9(13-11)7-4-8(10)6-12-5-7/h4-6,9,13H,2-3,11H2,1H3
InChIKeyVWLMZFLEHFLYCN-UHFFFAOYSA-N
XLogP0.78
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-(5-bromo-3-pyridinyl)butylhydrazine
CID 105251041
[1-(5-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]hydrazine
CID 105251012
1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine
CID 130060487
[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985195
1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984298
[1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984862
[1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985187
(3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine
CID 114984570
(3-methylsulfonyl-1-thiophen-3-ylpropyl)hydrazine
CID 114984529
[1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114985173
[2-(5-bromo-2-methoxyphenyl)-1-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105251172
[1-(5-bromo-3-pyridinyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105251116

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine (CID 114984828) is [1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine is CS(=O)(=O)CCC(NN)c1cncc(Br)c1.
What is the InChIKey of [1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine?
The InChIKey is VWLMZFLEHFLYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c1-16(14,15)3-2-9(13-11)7-4-8(10)6-12-5-7/h4-6,9,13H,2-3,11H2,1H3.
What are the key properties of [1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine?
[1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine has a molecular weight of 308.20 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 114984828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).