[3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine

C13H18N2OS — CID 105333174

IUPAC[3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine
SMILESCSc1ccccc1C(NN)C1=COCCC1
InChIInChI=1S/C13H18N2OS/c1-17-12-7-3-2-6-11(12)13(15-14)10-5-4-8-16-9-10/h2-3,6-7,9,13,15H,4-5,8,14H2,1H3
InChIKeyZLOLHDWMNOQMCC-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.61
Rot. Bonds4

About [3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine

[3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine (PubChem CID 105333174) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is [3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine
PubChem CID105333174
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name[3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine
SMILESCSc1ccccc1C(NN)C1=COCCC1
InChIInChI=1S/C13H18N2OS/c1-17-12-7-3-2-6-11(12)13(15-14)10-5-4-8-16-9-10/h2-3,6-7,9,13,15H,4-5,8,14H2,1H3
InChIKeyZLOLHDWMNOQMCC-UHFFFAOYSA-N
XLogP2.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.61
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

[(2-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 105210973
[3,4-dihydro-2H-pyran-5-yl-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251691
[3,4-dihydro-2H-pyran-5-yl-(4-iodophenyl)methyl]hydrazine
CID 105333272
[3,4-dihydro-2H-pyran-5-yl-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208035
N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine
CID 113370529
[(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105305698
1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 107985362
[3,4-dihydro-2H-pyran-5-yl-(6-methoxypyridazin-3-yl)methyl]hydrazine
CID 103375762
[3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105333247
[(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 105333182
[(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 103408765
[2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine
CID 105238050

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine?
The IUPAC name of [3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine (CID 105333174) is [3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine.
What is the SMILES notation for [3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine?
The canonical SMILES for [3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine is CSc1ccccc1C(NN)C1=COCCC1.
What is the InChIKey of [3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine?
The InChIKey is ZLOLHDWMNOQMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-17-12-7-3-2-6-11(12)13(15-14)10-5-4-8-16-9-10/h2-3,6-7,9,13,15H,4-5,8,14H2,1H3.
What are the key properties of [3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine?
[3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine has a molecular weight of 250.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine is sourced from PubChem (CID 105333174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).