8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one

C8H14N2OS — CID 158981180

IUPAC8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(S)CC2
InChIInChI=1S/C8H14N2OS/c11-7-8(1-4-9-7)2-5-10(12)6-3-8/h12H,1-6H2,(H,9,11)
InChIKeyJPAFKWGCJDLWEM-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.43
Rot. Bonds

About 8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one

8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 158981180) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID158981180
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(S)CC2
InChIInChI=1S/C8H14N2OS/c11-7-8(1-4-9-7)2-5-10(12)6-3-8/h12H,1-6H2,(H,9,11)
InChIKeyJPAFKWGCJDLWEM-UHFFFAOYSA-N
XLogP0.43
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one (CID 158981180) is 8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCN(S)CC2.
What is the InChIKey of 8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JPAFKWGCJDLWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c11-7-8(1-4-9-7)2-5-10(12)6-3-8/h12H,1-6H2,(H,9,11).
What are the key properties of 8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one?
8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 186.28 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 158981180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).