[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine

C15H24N2OS — CID 106602161

IUPAC[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine
SMILESCCC(CC)CC(NN)C1CSc2ccccc2O1
InChIInChI=1S/C15H24N2OS/c1-3-11(4-2)9-12(17-16)14-10-19-15-8-6-5-7-13(15)18-14/h5-8,11-12,14,17H,3-4,9-10,16H2,1-2H3
InChIKeySTOBQEXFCBXNKO-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.20
Rot. Bonds6

About [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine

[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine (PubChem CID 106602161) 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)-3-ethylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine
PubChem CID106602161
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine
SMILESCCC(CC)CC(NN)C1CSc2ccccc2O1
InChIInChI=1S/C15H24N2OS/c1-3-11(4-2)9-12(17-16)14-10-19-15-8-6-5-7-13(15)18-14/h5-8,11-12,14,17H,3-4,9-10,16H2,1-2H3
InChIKeySTOBQEXFCBXNKO-UHFFFAOYSA-N
XLogP3.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.20
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'}

Analyze [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]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

[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-methylidenepentyl]hydrazine
CID 106602324
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine
CID 106602182
[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)-2-(oxan-4-yl)ethyl]hydrazine
CID 106602253
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylbutan-1-amine
CID 106601197
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine
CID 107895416
[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)-2-methoxy-N-methylethanamine
CID 106601476
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N,2-dimethylbutan-1-amine
CID 106601449
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-methylbut-2-enyl]hydrazine
CID 106602260
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N,4-dimethylpent-4-en-1-amine
CID 106601538

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine (CID 106602161) is [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine is CCC(CC)CC(NN)C1CSc2ccccc2O1.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine?
The InChIKey is STOBQEXFCBXNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-11(4-2)9-12(17-16)14-10-19-15-8-6-5-7-13(15)18-14/h5-8,11-12,14,17H,3-4,9-10,16H2,1-2H3.
What are the key properties of [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine?
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine has a molecular weight of 280.44 g/mol, XLogP of 3.20, 6 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)-3-ethylpentyl]hydrazine is sourced from PubChem (CID 106602161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).