[1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine

C11H18N2OS — CID 105286240

IUPAC[1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine
SMILESCOc1ccc(C(CCSC)NN)cc1
InChIInChI=1S/C11H18N2OS/c1-14-10-5-3-9(4-6-10)11(13-12)7-8-15-2/h3-6,11,13H,7-8,12H2,1-2H3
InChIKeyQKPPGAUKQGJIGC-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.95
Rot. Bonds6

About [1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine

[1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine (PubChem CID 105286240) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine
PubChem CID105286240
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name[1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine
SMILESCOc1ccc(C(CCSC)NN)cc1
InChIInChI=1S/C11H18N2OS/c1-14-10-5-3-9(4-6-10)11(13-12)7-8-15-2/h3-6,11,13H,7-8,12H2,1-2H3
InChIKeyQKPPGAUKQGJIGC-UHFFFAOYSA-N
XLogP1.95
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluorophenyl)-3-methylsulfanylpropyl]hydrazine
CID 105284085
[1-(2-fluoro-4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine
CID 103397758
1-(4-methoxyphenyl)heptylhydrazine
CID 105190916
[3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302324
[1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105300238
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408
[3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine
CID 105206009
[1-(4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105190728
[1-(4-methoxyphenyl)-2-phenoxyethyl]hydrazine
CID 105213017
2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 117245021
[1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105341132
[2-cyclopentylsulfanyl-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105227501

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine?
The IUPAC name of [1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine (CID 105286240) is [1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine.
What is the SMILES notation for [1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine?
The canonical SMILES for [1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine is COc1ccc(C(CCSC)NN)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine?
The InChIKey is QKPPGAUKQGJIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-14-10-5-3-9(4-6-10)11(13-12)7-8-15-2/h3-6,11,13H,7-8,12H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine?
[1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine has a molecular weight of 226.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine is sourced from PubChem (CID 105286240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).