1-oxa-3-azaspiro[4.5]decane-2-thione

C8H13NOS — CID 10236033

IUPAC1-oxa-3-azaspiro[4.5]decane-2-thione
SMILESS=C1NCC2(CCCCC2)O1
InChIInChI=1S/C8H13NOS/c11-7-9-6-8(10-7)4-2-1-3-5-8/h1-6H2,(H,9,11)
InChIKeyBGTNPFOWQKFTFM-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.59
Rot. Bonds

About 1-oxa-3-azaspiro[4.5]decane-2-thione

1-oxa-3-azaspiro[4.5]decane-2-thione (PubChem CID 10236033) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-oxa-3-azaspiro[4.5]decane-2-thione.

Molecular Properties

Compound Name1-oxa-3-azaspiro[4.5]decane-2-thione
PubChem CID10236033
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name1-oxa-3-azaspiro[4.5]decane-2-thione
SMILESS=C1NCC2(CCCCC2)O1
InChIInChI=1S/C8H13NOS/c11-7-9-6-8(10-7)4-2-1-3-5-8/h1-6H2,(H,9,11)
InChIKeyBGTNPFOWQKFTFM-UHFFFAOYSA-N
XLogP1.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-oxa-3-azaspiro[4.5]decane-2-thione?
The IUPAC name of 1-oxa-3-azaspiro[4.5]decane-2-thione (CID 10236033) is 1-oxa-3-azaspiro[4.5]decane-2-thione.
What is the SMILES notation for 1-oxa-3-azaspiro[4.5]decane-2-thione?
The canonical SMILES for 1-oxa-3-azaspiro[4.5]decane-2-thione is S=C1NCC2(CCCCC2)O1.
What is the InChIKey of 1-oxa-3-azaspiro[4.5]decane-2-thione?
The InChIKey is BGTNPFOWQKFTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c11-7-9-6-8(10-7)4-2-1-3-5-8/h1-6H2,(H,9,11).
What are the key properties of 1-oxa-3-azaspiro[4.5]decane-2-thione?
1-oxa-3-azaspiro[4.5]decane-2-thione has a molecular weight of 171.26 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-3-azaspiro[4.5]decane-2-thione is sourced from PubChem (CID 10236033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).