[1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine

C14H17N3O2S — CID 105315250

IUPAC[1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine
SMILESCS(=O)(=O)c1cccc(C(Cc2ccccn2)NN)c1
InChIInChI=1S/C14H17N3O2S/c1-20(18,19)13-7-4-5-11(9-13)14(17-15)10-12-6-2-3-8-16-12/h2-9,14,17H,10,15H2,1H3
InChIKeyYQVIHUYQJZNOHI-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.23
Rot. Bonds5

About [1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine

[1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine (PubChem CID 105315250) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is [1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine
PubChem CID105315250
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name[1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine
SMILESCS(=O)(=O)c1cccc(C(Cc2ccccn2)NN)c1
InChIInChI=1S/C14H17N3O2S/c1-20(18,19)13-7-4-5-11(9-13)14(17-15)10-12-6-2-3-8-16-12/h2-9,14,17H,10,15H2,1H3
InChIKeyYQVIHUYQJZNOHI-UHFFFAOYSA-N
XLogP1.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.23
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-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283041
[4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine
CID 105299901
[5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine
CID 105328847
[1-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]hydrazine
CID 105200033
[1-(3-bromo-5-fluorophenyl)-2-pyridin-2-ylethyl]hydrazine
CID 105238524
2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 43487152
3-(1-hydrazinyl-2-pyridin-2-ylethyl)-4-methylpyridin-2-amine
CID 105200002
[1-(2-fluoro-3-methylphenyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315397
1-(3-methylsulfonylphenyl)-2-phenylethanol
CID 114976498
[1-(4-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283057
[1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333643
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine?
The IUPAC name of [1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine (CID 105315250) is [1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine.
What is the SMILES notation for [1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine?
The canonical SMILES for [1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine is CS(=O)(=O)c1cccc(C(Cc2ccccn2)NN)c1.
What is the InChIKey of [1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine?
The InChIKey is YQVIHUYQJZNOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-20(18,19)13-7-4-5-11(9-13)14(17-15)10-12-6-2-3-8-16-12/h2-9,14,17H,10,15H2,1H3.
What are the key properties of [1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine?
[1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine has a molecular weight of 291.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine is sourced from PubChem (CID 105315250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).