[1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine

C13H22N2O2S — CID 105225838

IUPAC[1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine
SMILESCCCSCC(NN)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H22N2O2S/c1-4-5-18-9-13(15-14)10-6-11(16-2)8-12(7-10)17-3/h6-8,13,15H,4-5,9,14H2,1-3H3
InChIKeyGWRJCYDROFPWNZ-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.35
Rot. Bonds8

About [1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine

[1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine (PubChem CID 105225838) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine
PubChem CID105225838
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name[1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine
SMILESCCCSCC(NN)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H22N2O2S/c1-4-5-18-9-13(15-14)10-6-11(16-2)8-12(7-10)17-3/h6-8,13,15H,4-5,9,14H2,1-3H3
InChIKeyGWRJCYDROFPWNZ-UHFFFAOYSA-N
XLogP2.35
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-methoxy-2-methylphenyl)-2-propylsulfanylethyl]hydrazine
CID 105225877
[1-(2,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine
CID 105225815
[1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine
CID 105225597
[1-(3,5-dimethoxyphenyl)-3-methoxypropyl]hydrazine
CID 105206483
[1-(3,5-dimethoxyphenyl)-3-ethylheptyl]hydrazine
CID 105288416
[1-(3,5-dimethoxyphenyl)-4-ethoxybutyl]hydrazine
CID 105323895
[1-(3-ethoxyphenyl)-2-ethylsulfanylethyl]hydrazine
CID 105225226
1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105168322
1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64615524
[2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105225417
1-(4-chloro-3-methoxyphenyl)-N-methyl-2-propylsulfanylethanamine
CID 79697204
[1-(3-methoxyphenyl)-2-propoxyethyl]hydrazine
CID 105191587

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine?
The IUPAC name of [1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine (CID 105225838) is [1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine is CCCSCC(NN)c1cc(OC)cc(OC)c1.
What is the InChIKey of [1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine?
The InChIKey is GWRJCYDROFPWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-5-18-9-13(15-14)10-6-11(16-2)8-12(7-10)17-3/h6-8,13,15H,4-5,9,14H2,1-3H3.
What are the key properties of [1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine?
[1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine has a molecular weight of 270.40 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine is sourced from PubChem (CID 105225838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).