[1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine

C13H22N2O4S — CID 105334154

IUPAC[1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine
SMILESCOCCOc1ccccc1C(NN)C(C)S(C)(=O)=O
InChIInChI=1S/C13H22N2O4S/c1-10(20(3,16)17)13(15-14)11-6-4-5-7-12(11)19-9-8-18-2/h4-7,10,13,15H,8-9,14H2,1-3H3
InChIKeyQHKVQXHATHIRCS-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.65
Rot. Bonds8

About [1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine

[1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine (PubChem CID 105334154) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is [1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine
PubChem CID105334154
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name[1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine
SMILESCOCCOc1ccccc1C(NN)C(C)S(C)(=O)=O
InChIInChI=1S/C13H22N2O4S/c1-10(20(3,16)17)13(15-14)11-6-4-5-7-12(11)19-9-8-18-2/h4-7,10,13,15H,8-9,14H2,1-3H3
InChIKeyQHKVQXHATHIRCS-UHFFFAOYSA-N
XLogP0.65
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze [1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[2-(2-methoxyethoxy)phenyl]-phenylmethyl]hydrazine
CID 105199390
[2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]pentyl]hydrazine
CID 105271536
[2-methoxy-1-[2-(2-methoxyethoxy)phenyl]-2-methylpropyl]hydrazine
CID 105245524
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine
CID 105035305
1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
CID 113438261
1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine
CID 105035367
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
1-(3-chlorobutan-2-yl)-2-(2-methoxyethoxy)benzene
CID 104662451
[(2,2-dimethylcyclopropyl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine
CID 107005838
[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclohexyl)methyl]hydrazine
CID 106831356
[[2-(2-methoxyethoxy)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 105203487

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine (CID 105334154) is [1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine is COCCOc1ccccc1C(NN)C(C)S(C)(=O)=O.
What is the InChIKey of [1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine?
The InChIKey is QHKVQXHATHIRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-10(20(3,16)17)13(15-14)11-6-4-5-7-12(11)19-9-8-18-2/h4-7,10,13,15H,8-9,14H2,1-3H3.
What are the key properties of [1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine?
[1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine has a molecular weight of 302.40 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 105334154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).