[1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine

C14H24N2O3S — CID 105191911

IUPAC[1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
SMILESCCOc1cccc(C(CCCS(=O)(=O)CC)NN)c1
InChIInChI=1S/C14H24N2O3S/c1-3-19-13-8-5-7-12(11-13)14(16-15)9-6-10-20(17,18)4-2/h5,7-8,11,14,16H,3-4,6,9-10,15H2,1-2H3
InChIKeyXZGBRYNUPZZUCT-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.80
Rot. Bonds9

About [1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine

[1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine (PubChem CID 105191911) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is [1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
PubChem CID105191911
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name[1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
SMILESCCOc1cccc(C(CCCS(=O)(=O)CC)NN)c1
InChIInChI=1S/C14H24N2O3S/c1-3-19-13-8-5-7-12(11-13)14(16-15)9-6-10-20(17,18)4-2/h5,7-8,11,14,16H,3-4,6,9-10,15H2,1-2H3
InChIKeyXZGBRYNUPZZUCT-UHFFFAOYSA-N
XLogP1.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.80
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-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310823
[4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine
CID 105200654
1-(3-ethoxyphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 63192449
[1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine
CID 105328109
[1-(3-ethoxyphenyl)-4,4-dimethylpentyl]hydrazine
CID 105191999
[1-(3-ethoxyphenyl)-3-phenoxypropyl]hydrazine
CID 105191343
4-ethylsulfonyl-1-(3-propoxyphenyl)butan-1-amine
CID 115865348
[1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105225968
[1-(3-ethoxyphenyl)-2-ethylsulfanylethyl]hydrazine
CID 105225226
[1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine
CID 105192051
[1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310908
1-(3-ethoxyphenyl)-N-propylheptan-1-amine
CID 63414677

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine (CID 105191911) is [1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine is CCOc1cccc(C(CCCS(=O)(=O)CC)NN)c1.
What is the InChIKey of [1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine?
The InChIKey is XZGBRYNUPZZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-19-13-8-5-7-12(11-13)14(16-15)9-6-10-20(17,18)4-2/h5,7-8,11,14,16H,3-4,6,9-10,15H2,1-2H3.
What are the key properties of [1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine?
[1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine has a molecular weight of 300.42 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine is sourced from PubChem (CID 105191911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).