[1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine

C12H20ClN3O3S — CID 106694587

IUPAC[1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
SMILESCS(=O)(=O)N1CCCC(CC(NN)c2ccoc2Cl)C1
InChIInChI=1S/C12H20ClN3O3S/c1-20(17,18)16-5-2-3-9(8-16)7-11(15-14)10-4-6-19-12(10)13/h4,6,9,11,15H,2-3,5,7-8,14H2,1H3
InChIKeyFZQNXGASWYXOFZ-UHFFFAOYSA-N
MW321.83 g/mol
LogP1.50
Rot. Bonds5

About [1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine

[1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine (PubChem CID 106694587) has the molecular formula C12H20ClN3O3S and a molecular weight of 321.83 g/mol. Its IUPAC name is [1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
PubChem CID106694587
Molecular FormulaC12H20ClN3O3S
Molecular Weight321.83 g/mol
Exact Mass321.09
IUPAC Name[1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
SMILESCS(=O)(=O)N1CCCC(CC(NN)c2ccoc2Cl)C1
InChIInChI=1S/C12H20ClN3O3S/c1-20(17,18)16-5-2-3-9(8-16)7-11(15-14)10-4-6-19-12(10)13/h4,6,9,11,15H,2-3,5,7-8,14H2,1H3
InChIKeyFZQNXGASWYXOFZ-UHFFFAOYSA-N
XLogP1.50
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 51.50
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

2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline
CID 105223840
[1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322786
[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-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105167000
1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79610493
1-(2,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011096
[1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322812
1-(5-chlorofuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 106693883
[1-(3-methoxythiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322822
1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609321
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine (CID 106694587) is [1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine is CS(=O)(=O)N1CCCC(CC(NN)c2ccoc2Cl)C1.
What is the InChIKey of [1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
The InChIKey is FZQNXGASWYXOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O3S/c1-20(17,18)16-5-2-3-9(8-16)7-11(15-14)10-4-6-19-12(10)13/h4,6,9,11,15H,2-3,5,7-8,14H2,1H3.
What are the key properties of [1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
[1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine has a molecular weight of 321.83 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine is sourced from PubChem (CID 106694587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).