[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine

C12H24N2O2S — CID 105325595

IUPAC[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine
SMILESCSCCC(NN)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H24N2O2S/c1-17-7-3-11(14-13)10-2-5-16-12(8-10)4-6-15-9-12/h10-11,14H,2-9,13H2,1H3
InChIKeyGAMFRZVDHWKLOQ-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.16
Rot. Bonds5

About [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine

[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine (PubChem CID 105325595) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine
PubChem CID105325595
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine
SMILESCSCCC(NN)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H24N2O2S/c1-17-7-3-11(14-13)10-2-5-16-12(8-10)4-6-15-9-12/h10-11,14H,2-9,13H2,1H3
InChIKeyGAMFRZVDHWKLOQ-UHFFFAOYSA-N
XLogP1.16
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.16
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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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine?
The IUPAC name of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine (CID 105325595) is [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine.
What is the SMILES notation for [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine?
The canonical SMILES for [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine is CSCCC(NN)C1CCOC2(CCOC2)C1.
What is the InChIKey of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine?
The InChIKey is GAMFRZVDHWKLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-17-7-3-11(14-13)10-2-5-16-12(8-10)4-6-15-9-12/h10-11,14H,2-9,13H2,1H3.
What are the key properties of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine?
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine has a molecular weight of 260.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine is sourced from PubChem (CID 105325595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).