[1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine

C11H18N2O3S — CID 105328109

IUPAC[1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine
SMILESCCOc1cccc(C(CS(C)(=O)=O)NN)c1
InChIInChI=1S/C11H18N2O3S/c1-3-16-10-6-4-5-9(7-10)11(13-12)8-17(2,14)15/h4-7,11,13H,3,8,12H2,1-2H3
InChIKeyWTEYGUKTXMFMQB-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.63
Rot. Bonds6

About [1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine

[1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine (PubChem CID 105328109) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is [1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine
PubChem CID105328109
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name[1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine
SMILESCCOc1cccc(C(CS(C)(=O)=O)NN)c1
InChIInChI=1S/C11H18N2O3S/c1-3-16-10-6-4-5-9(7-10)11(13-12)8-17(2,14)15/h4-7,11,13H,3,8,12H2,1-2H3
InChIKeyWTEYGUKTXMFMQB-UHFFFAOYSA-N
XLogP0.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.63
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-(3-ethylphenyl)-2-methylsulfonylethyl]hydrazine
CID 105326383
[1-(3-ethoxyphenyl)-2-ethylsulfanylethyl]hydrazine
CID 105225226
[1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105225968
[1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine
CID 105192051
[1-(3-ethoxyphenyl)-4,4-dimethylpentyl]hydrazine
CID 105191999
[1-(3-ethoxyphenyl)-3-phenoxypropyl]hydrazine
CID 105191343
[2-(4-bromophenyl)sulfanyl-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105235869
[2-(3-chlorophenyl)sulfanyl-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105237806
1-(3-ethoxyphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 63192449
[1-(3-ethoxyphenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105192057
[2-(4-bromophenyl)-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105192046

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine?
The IUPAC name of [1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine (CID 105328109) is [1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine.
What is the SMILES notation for [1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine?
The canonical SMILES for [1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine is CCOc1cccc(C(CS(C)(=O)=O)NN)c1.
What is the InChIKey of [1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine?
The InChIKey is WTEYGUKTXMFMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-16-10-6-4-5-9(7-10)11(13-12)8-17(2,14)15/h4-7,11,13H,3,8,12H2,1-2H3.
What are the key properties of [1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine?
[1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine has a molecular weight of 258.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine is sourced from PubChem (CID 105328109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).