[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine

C14H22N2O2S — CID 105325556

IUPAC[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCOC3(CCOC3)C2)s1
InChIInChI=1S/C14H22N2O2S/c1-10-2-3-12(19-10)13(16-15)11-4-6-18-14(8-11)5-7-17-9-14/h2-3,11,13,16H,4-9,15H2,1H3
InChIKeyGNWQTLHRALINBW-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.15
Rot. Bonds3

About [2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine

[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine (PubChem CID 105325556) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine
PubChem CID105325556
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCOC3(CCOC3)C2)s1
InChIInChI=1S/C14H22N2O2S/c1-10-2-3-12(19-10)13(16-15)11-4-6-18-14(8-11)5-7-17-9-14/h2-3,11,13,16H,4-9,15H2,1H3
InChIKeyGNWQTLHRALINBW-UHFFFAOYSA-N
XLogP2.15
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.15
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

[(5-methylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325423
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 105012049
[(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323230
[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325543
N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016176
[(2,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325558
[(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107970487
[2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105325620
[(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106860109
[(2-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325647
[(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325539
[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106694620

Frequently Asked Questions

What is the IUPAC name of [2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine?
The IUPAC name of [2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine (CID 105325556) is [2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine is Cc1ccc(C(NN)C2CCOC3(CCOC3)C2)s1.
What is the InChIKey of [2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine?
The InChIKey is GNWQTLHRALINBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-2-3-12(19-10)13(16-15)11-4-6-18-14(8-11)5-7-17-9-14/h2-3,11,13,16H,4-9,15H2,1H3.
What are the key properties of [2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine?
[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine has a molecular weight of 282.41 g/mol, XLogP of 2.15, 3 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-(5-methylthiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105325556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).