[1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine

C11H18N2O4S — CID 105301180

IUPAC[1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine
SMILESCOc1ccc(C(CS(C)(=O)=O)NN)cc1OC
InChIInChI=1S/C11H18N2O4S/c1-16-10-5-4-8(6-11(10)17-2)9(13-12)7-18(3,14)15/h4-6,9,13H,7,12H2,1-3H3
InChIKeyNHVLCTSWKPHGJJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.25
Rot. Bonds6

About [1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine

[1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine (PubChem CID 105301180) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is [1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine
PubChem CID105301180
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name[1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine
SMILESCOc1ccc(C(CS(C)(=O)=O)NN)cc1OC
InChIInChI=1S/C11H18N2O4S/c1-16-10-5-4-8(6-11(10)17-2)9(13-12)7-18(3,14)15/h4-6,9,13H,7,12H2,1-3H3
InChIKeyNHVLCTSWKPHGJJ-UHFFFAOYSA-N
XLogP0.25
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3,4-dimethoxyphenyl)-2-ethoxyethyl]hydrazine
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[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine
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[1-(3,4-dimethoxyphenyl)-2-phenoxyethyl]hydrazine
CID 105212929
[2-cyclobutyl-1-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105192203
1-(3,4-dimethoxyphenyl)-3-methylsulfonylpropan-1-ol
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[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105192119
[1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine
CID 105328109
1-(3,4-dimethoxyphenyl)-2-ethylsulfonylethanamine
CID 64645587
3-chloro-1-N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]benzene-1,2-diamine
CID 138734132
(1S)-1-deuterio-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine
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[1-(3,4-dimethoxyphenyl)-3-ethylheptyl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine?
The IUPAC name of [1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine (CID 105301180) is [1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine.
What is the SMILES notation for [1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine?
The canonical SMILES for [1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine is COc1ccc(C(CS(C)(=O)=O)NN)cc1OC.
What is the InChIKey of [1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine?
The InChIKey is NHVLCTSWKPHGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-16-10-5-4-8(6-11(10)17-2)9(13-12)7-18(3,14)15/h4-6,9,13H,7,12H2,1-3H3.
What are the key properties of [1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine?
[1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine has a molecular weight of 274.34 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine is sourced from PubChem (CID 105301180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).