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

C14H24N2O3S — CID 105310823

IUPAC[1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
SMILESCCOc1ccc(C(CCCS(=O)(=O)CC)NN)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-19-13-9-7-12(8-10-13)14(16-15)6-5-11-20(17,18)4-2/h7-10,14,16H,3-6,11,15H2,1-2H3
InChIKeyWQNZTFWZKHRVOH-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.80
Rot. Bonds9

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

[1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine (PubChem CID 105310823) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
PubChem CID105310823
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name[1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
SMILESCCOc1ccc(C(CCCS(=O)(=O)CC)NN)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-19-13-9-7-12(8-10-13)14(16-15)6-5-11-20(17,18)4-2/h7-10,14,16H,3-6,11,15H2,1-2H3
InChIKeyWQNZTFWZKHRVOH-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-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105191911
1-(4-butoxyphenyl)pentylhydrazine
CID 105293831
[1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105248935
[4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine
CID 105200654
[3-cyclohexyl-1-(4-ethoxyphenyl)propyl]hydrazine
CID 105300716
[1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310908
[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105290912
[1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105197317
[4-chloro-1-(4-propoxyphenyl)butyl]hydrazine
CID 105235769
1-(4-ethoxyphenyl)but-3-ynylhydrazine
CID 105281456
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
1-(4-ethoxyphenyl)pent-3-ynylhydrazine
CID 105290586

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine (CID 105310823) is [1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine is CCOc1ccc(C(CCCS(=O)(=O)CC)NN)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine?
The InChIKey is WQNZTFWZKHRVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-19-13-9-7-12(8-10-13)14(16-15)6-5-11-20(17,18)4-2/h7-10,14,16H,3-6,11,15H2,1-2H3.
What are the key properties of [1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine?
[1-(4-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-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine is sourced from PubChem (CID 105310823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).