[1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine

C13H21FN4O2S — CID 105322812

IUPAC[1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
SMILESCS(=O)(=O)N1CCCC(CC(NN)c2cncc(F)c2)C1
InChIInChI=1S/C13H21FN4O2S/c1-21(19,20)18-4-2-3-10(9-18)5-13(17-15)11-6-12(14)8-16-7-11/h6-8,10,13,17H,2-5,9,15H2,1H3
InChIKeyITOVYELWMRZQJI-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.79
Rot. Bonds5

About [1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine

[1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine (PubChem CID 105322812) has the molecular formula C13H21FN4O2S and a molecular weight of 316.40 g/mol. Its IUPAC name is [1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
PubChem CID105322812
Molecular FormulaC13H21FN4O2S
Molecular Weight316.40 g/mol
Exact Mass316.14
IUPAC Name[1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
SMILESCS(=O)(=O)N1CCCC(CC(NN)c2cncc(F)c2)C1
InChIInChI=1S/C13H21FN4O2S/c1-21(19,20)18-4-2-3-10(9-18)5-13(17-15)11-6-12(14)8-16-7-11/h6-8,10,13,17H,2-5,9,15H2,1H3
InChIKeyITOVYELWMRZQJI-UHFFFAOYSA-N
XLogP0.79
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.79
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-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105228709
[1-(3-fluoro-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105257833
[1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322786
2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline
CID 105223840
[1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 106694587
2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol
CID 105113315
1-(4-fluoro-2-methylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609526
1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609528
3-[3-chloro-2-(3-fluorophenyl)propyl]-1-methylsulfonylpiperidine
CID 79620402
1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612441
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011016
2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
CID 79620266

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine (CID 105322812) is [1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine is CS(=O)(=O)N1CCCC(CC(NN)c2cncc(F)c2)C1.
What is the InChIKey of [1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
The InChIKey is ITOVYELWMRZQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O2S/c1-21(19,20)18-4-2-3-10(9-18)5-13(17-15)11-6-12(14)8-16-7-11/h6-8,10,13,17H,2-5,9,15H2,1H3.
What are the key properties of [1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
[1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine has a molecular weight of 316.40 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105322812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).