[1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine

C11H17FN2O2S — CID 114984862

IUPAC[1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine
SMILESCc1cc(F)cc(C(CCS(C)(=O)=O)NN)c1
InChIInChI=1S/C11H17FN2O2S/c1-8-5-9(7-10(12)6-8)11(14-13)3-4-17(2,15)16/h5-7,11,14H,3-4,13H2,1-2H3
InChIKeyGNNICZPARQMXDB-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.07
Rot. Bonds5

About [1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine

[1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine (PubChem CID 114984862) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is [1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine
PubChem CID114984862
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC Name[1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine
SMILESCc1cc(F)cc(C(CCS(C)(=O)=O)NN)c1
InChIInChI=1S/C11H17FN2O2S/c1-8-5-9(7-10(12)6-8)11(14-13)3-4-17(2,15)16/h5-7,11,14H,3-4,13H2,1-2H3
InChIKeyGNNICZPARQMXDB-UHFFFAOYSA-N
XLogP1.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290938
[4,4,4-trifluoro-1-(3-fluoro-5-methylphenyl)butyl]hydrazine
CID 105249105
1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 105016325
[3-ethoxy-1-(3-fluoro-5-methylphenyl)propyl]hydrazine
CID 105325359
[3-cyclopentyl-1-(3-fluoro-5-methylphenyl)propyl]hydrazine
CID 105325325
[1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985081
(3-methylsulfonyl-1-thiophen-3-ylpropyl)hydrazine
CID 114984529
1-(3,5-difluorophenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192091
[1-(2-fluorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984642
[1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine
CID 114984828
[2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105260291
[1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237281

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine (CID 114984862) is [1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine is Cc1cc(F)cc(C(CCS(C)(=O)=O)NN)c1.
What is the InChIKey of [1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine?
The InChIKey is GNNICZPARQMXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-8-5-9(7-10(12)6-8)11(14-13)3-4-17(2,15)16/h5-7,11,14H,3-4,13H2,1-2H3.
What are the key properties of [1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine?
[1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine has a molecular weight of 260.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 114984862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).