[2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine

C13H14N2O2S — CID 105311989

IUPAC[2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine
SMILESNNC(c1ccsc1)c1cccc2c1OCCO2
InChIInChI=1S/C13H14N2O2S/c14-15-12(9-4-7-18-8-9)10-2-1-3-11-13(10)17-6-5-16-11/h1-4,7-8,12,15H,5-6,14H2
InChIKeyZBDYMXDLRDYURZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.07
Rot. Bonds3

About [2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine

[2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine (PubChem CID 105311989) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is [2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine
PubChem CID105311989
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name[2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine
SMILESNNC(c1ccsc1)c1cccc2c1OCCO2
InChIInChI=1S/C13H14N2O2S/c14-15-12(9-4-7-18-8-9)10-2-1-3-11-13(10)17-6-5-16-11/h1-4,7-8,12,15H,5-6,14H2
InChIKeyZBDYMXDLRDYURZ-UHFFFAOYSA-N
XLogP2.07
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.07
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'}

Analyze [2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]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

[(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydrazine
CID 105301665
[thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105196827
[(2-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]hydrazine
CID 105312068
[(3-bromo-2-fluorophenyl)-thiophen-3-ylmethyl]hydrazine
CID 106648589
[2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105307421
[2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105335368
N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine
CID 114744967
[2,3-dihydro-1,4-benzodioxin-5-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306987
N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079304
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine
CID 114744888
1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine
CID 105293760
(3-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 107361835

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine (CID 105311989) is [2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine is NNC(c1ccsc1)c1cccc2c1OCCO2.
What is the InChIKey of [2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine?
The InChIKey is ZBDYMXDLRDYURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c14-15-12(9-4-7-18-8-9)10-2-1-3-11-13(10)17-6-5-16-11/h1-4,7-8,12,15H,5-6,14H2.
What are the key properties of [2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine?
[2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine has a molecular weight of 262.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 105311989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).