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

C14H22N2OS — CID 107895416

IUPAC[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine
SMILESCCCC(C)C(NN)C1CSc2ccccc2O1
InChIInChI=1S/C14H22N2OS/c1-3-6-10(2)14(16-15)12-9-18-13-8-5-4-7-11(13)17-12/h4-5,7-8,10,12,14,16H,3,6,9,15H2,1-2H3
InChIKeyWHRQERGNXKELDL-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.81
Rot. Bonds5

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

[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine (PubChem CID 107895416) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine
PubChem CID107895416
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine
SMILESCCCC(C)C(NN)C1CSc2ccccc2O1
InChIInChI=1S/C14H22N2OS/c1-3-6-10(2)14(16-15)12-9-18-13-8-5-4-7-11(13)17-12/h4-5,7-8,10,12,14,16H,3,6,9,15H2,1-2H3
InChIKeyWHRQERGNXKELDL-UHFFFAOYSA-N
XLogP2.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.81
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'}

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Related Compounds

[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine
CID 107895095
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)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 106601790
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine
CID 106602182
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylbutan-1-amine
CID 106601197
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine
CID 106602161
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-4-methylpentan-1-amine
CID 106601340
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-methylidenepentyl]hydrazine
CID 106602324
[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)-3-methylbut-2-enyl]hydrazine
CID 106602260
[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine
CID 106602146
[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,5-dimethylphenyl)methyl]hydrazine
CID 106602250

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine (CID 107895416) is [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine is CCCC(C)C(NN)C1CSc2ccccc2O1.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine?
The InChIKey is WHRQERGNXKELDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-6-10(2)14(16-15)12-9-18-13-8-5-4-7-11(13)17-12/h4-5,7-8,10,12,14,16H,3,6,9,15H2,1-2H3.
What are the key properties of [1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine?
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine has a molecular weight of 266.41 g/mol, XLogP of 2.81, 5 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)-2-methylpentyl]hydrazine is sourced from PubChem (CID 107895416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).