4,6-diazaspiro[2.4]heptane-5-thione

C5H8N2S — CID 155166909

IUPAC4,6-diazaspiro[2.4]heptane-5-thione
SMILESS=C1NCC2(CC2)N1
InChIInChI=1S/C5H8N2S/c8-4-6-3-5(7-4)1-2-5/h1-3H2,(H2,6,7,8)
InChIKeyAPZXJVLXKNCVRE-UHFFFAOYSA-N
MW128.20 g/mol
LogP-0.00
Rot. Bonds

About 4,6-diazaspiro[2.4]heptane-5-thione

4,6-diazaspiro[2.4]heptane-5-thione (PubChem CID 155166909) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 4,6-diazaspiro[2.4]heptane-5-thione.

Molecular Properties

Compound Name4,6-diazaspiro[2.4]heptane-5-thione
PubChem CID155166909
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name4,6-diazaspiro[2.4]heptane-5-thione
SMILESS=C1NCC2(CC2)N1
InChIInChI=1S/C5H8N2S/c8-4-6-3-5(7-4)1-2-5/h1-3H2,(H2,6,7,8)
InChIKeyAPZXJVLXKNCVRE-UHFFFAOYSA-N
XLogP-0.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 5-0.00
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 4,6-diazaspiro[2.4]heptane-5-thione?
The IUPAC name of 4,6-diazaspiro[2.4]heptane-5-thione (CID 155166909) is 4,6-diazaspiro[2.4]heptane-5-thione.
What is the SMILES notation for 4,6-diazaspiro[2.4]heptane-5-thione?
The canonical SMILES for 4,6-diazaspiro[2.4]heptane-5-thione is S=C1NCC2(CC2)N1.
What is the InChIKey of 4,6-diazaspiro[2.4]heptane-5-thione?
The InChIKey is APZXJVLXKNCVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c8-4-6-3-5(7-4)1-2-5/h1-3H2,(H2,6,7,8).
What are the key properties of 4,6-diazaspiro[2.4]heptane-5-thione?
4,6-diazaspiro[2.4]heptane-5-thione has a molecular weight of 128.20 g/mol, XLogP of -0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diazaspiro[2.4]heptane-5-thione is sourced from PubChem (CID 155166909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).