[2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine

C16H24N2O2S — CID 105325620

IUPAC[2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine
SMILESCSc1ccc(C(NN)C2CCOC3(CCOC3)C2)cc1
InChIInChI=1S/C16H24N2O2S/c1-21-14-4-2-12(3-5-14)15(18-17)13-6-8-20-16(10-13)7-9-19-11-16/h2-5,13,15,18H,6-11,17H2,1H3
InChIKeyHJMGCHBUMRMDOA-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.50
Rot. Bonds4

About [2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine

[2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine (PubChem CID 105325620) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is [2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine
PubChem CID105325620
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name[2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine
SMILESCSc1ccc(C(NN)C2CCOC3(CCOC3)C2)cc1
InChIInChI=1S/C16H24N2O2S/c1-21-14-4-2-12(3-5-14)15(18-17)13-6-8-20-16(10-13)7-9-19-11-16/h2-5,13,15,18H,6-11,17H2,1H3
InChIKeyHJMGCHBUMRMDOA-UHFFFAOYSA-N
XLogP2.50
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325543
[(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325539
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylsulfanylphenyl)methanamine
CID 105012149
[(4-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193249
[2,6-dioxaspiro[4.5]decan-9-yl-(3-methoxyphenyl)methyl]hydrazine
CID 105191848
[(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325550
[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105325556
[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106694620
[(2,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325558
[(2-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325647
[(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106860109
[2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105258737

Frequently Asked Questions

What is the IUPAC name of [2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine?
The IUPAC name of [2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine (CID 105325620) is [2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine.
What is the SMILES notation for [2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine?
The canonical SMILES for [2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine is CSc1ccc(C(NN)C2CCOC3(CCOC3)C2)cc1.
What is the InChIKey of [2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine?
The InChIKey is HJMGCHBUMRMDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-21-14-4-2-12(3-5-14)15(18-17)13-6-8-20-16(10-13)7-9-19-11-16/h2-5,13,15,18H,6-11,17H2,1H3.
What are the key properties of [2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine?
[2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine has a molecular weight of 308.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine is sourced from PubChem (CID 105325620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).