[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine

C13H20N2O2S — CID 105225854

IUPAC[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine
SMILESCCCSCC(NN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H20N2O2S/c1-2-7-18-9-11(15-14)10-3-4-12-13(8-10)17-6-5-16-12/h3-4,8,11,15H,2,5-7,9,14H2,1H3
InChIKeyZWUQFORCMVAEKZ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.11
Rot. Bonds6

About [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine

[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine (PubChem CID 105225854) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine
PubChem CID105225854
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine
SMILESCCCSCC(NN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H20N2O2S/c1-2-7-18-9-11(15-14)10-3-4-12-13(8-10)17-6-5-16-12/h3-4,8,11,15H,2,5-7,9,14H2,1H3
InChIKeyZWUQFORCMVAEKZ-UHFFFAOYSA-N
XLogP2.11
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.11
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-(1,3-benzodioxol-5-yl)-N-methyl-2-propylsulfanylethanamine
CID 64615340
2-butylsulfanyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethylethanamine
CID 64609651
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025276
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
CID 105226954
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylethane-1,2-diamine
CID 55030455
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
N-[2-tert-butylsulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propan-1-amine
CID 64612616
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine
CID 70125618
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylnonan-1-amine
CID 65447633
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
CID 43483285
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211958
[1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine
CID 105225838

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine (CID 105225854) is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine is CCCSCC(NN)c1ccc2c(c1)OCCO2.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine?
The InChIKey is ZWUQFORCMVAEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-7-18-9-11(15-14)10-3-4-12-13(8-10)17-6-5-16-12/h3-4,8,11,15H,2,5-7,9,14H2,1H3.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine?
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine has a molecular weight of 268.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine is sourced from PubChem (CID 105225854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).