1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine

C15H24N2OS — CID 106602182

IUPAC1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine
SMILESCCCCCCC(NN)C1CSc2ccccc2O1
InChIInChI=1S/C15H24N2OS/c1-2-3-4-5-8-12(17-16)14-11-19-15-10-7-6-9-13(15)18-14/h6-7,9-10,12,14,17H,2-5,8,11,16H2,1H3
InChIKeyOGIDILUUMOSZBI-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.34
Rot. Bonds7

About 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine

1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine (PubChem CID 106602182) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine
PubChem CID106602182
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine
SMILESCCCCCCC(NN)C1CSc2ccccc2O1
InChIInChI=1S/C15H24N2OS/c1-2-3-4-5-8-12(17-16)14-11-19-15-10-7-6-9-13(15)18-14/h6-7,9-10,12,14,17H,2-5,8,11,16H2,1H3
InChIKeyOGIDILUUMOSZBI-UHFFFAOYSA-N
XLogP3.34
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine
CID 106602161
1-(2,3-dihydro-1-benzofuran-2-yl)heptylhydrazine
CID 105262982
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-methylidenepentyl]hydrazine
CID 106602324
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine
CID 107895416
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 106602268
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N-methyloct-7-en-1-amine
CID 107009850
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 106602253
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N-propylpent-4-yn-1-amine
CID 106601729
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N,4-dimethylpent-4-en-1-amine
CID 106601538
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethyl]hydrazine
CID 106602208
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 106602195
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 106601463

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine (CID 106602182) is 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine is CCCCCCC(NN)C1CSc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine?
The InChIKey is OGIDILUUMOSZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-3-4-5-8-12(17-16)14-11-19-15-10-7-6-9-13(15)18-14/h6-7,9-10,12,14,17H,2-5,8,11,16H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine?
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine has a molecular weight of 280.44 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine is sourced from PubChem (CID 106602182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).