5,7-diazaspiro[2.5]octane-6-thione

C6H10N2S — CID 13050833

IUPAC5,7-diazaspiro[2.5]octane-6-thione
SMILESS=C1NCC2(CC2)CN1
InChIInChI=1S/C6H10N2S/c9-5-7-3-6(1-2-6)4-8-5/h1-4H2,(H2,7,8,9)
InChIKeyPNDLRSNWIIDGOZ-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.24
Rot. Bonds

About 5,7-diazaspiro[2.5]octane-6-thione

5,7-diazaspiro[2.5]octane-6-thione (PubChem CID 13050833) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 5,7-diazaspiro[2.5]octane-6-thione.

Molecular Properties

Compound Name5,7-diazaspiro[2.5]octane-6-thione
PubChem CID13050833
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name5,7-diazaspiro[2.5]octane-6-thione
SMILESS=C1NCC2(CC2)CN1
InChIInChI=1S/C6H10N2S/c9-5-7-3-6(1-2-6)4-8-5/h1-4H2,(H2,7,8,9)
InChIKeyPNDLRSNWIIDGOZ-UHFFFAOYSA-N
XLogP0.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-diazaspiro[2.5]octane-6-thione?
The IUPAC name of 5,7-diazaspiro[2.5]octane-6-thione (CID 13050833) is 5,7-diazaspiro[2.5]octane-6-thione.
What is the SMILES notation for 5,7-diazaspiro[2.5]octane-6-thione?
The canonical SMILES for 5,7-diazaspiro[2.5]octane-6-thione is S=C1NCC2(CC2)CN1.
What is the InChIKey of 5,7-diazaspiro[2.5]octane-6-thione?
The InChIKey is PNDLRSNWIIDGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c9-5-7-3-6(1-2-6)4-8-5/h1-4H2,(H2,7,8,9).
What are the key properties of 5,7-diazaspiro[2.5]octane-6-thione?
5,7-diazaspiro[2.5]octane-6-thione has a molecular weight of 142.23 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diazaspiro[2.5]octane-6-thione is sourced from PubChem (CID 13050833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).