2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol

C8H15NOS — CID 170083694

IUPAC2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol
SMILESSCN1CCCCC12COC2
InChIInChI=1S/C8H15NOS/c11-7-9-4-2-1-3-8(9)5-10-6-8/h11H,1-7H2
InChIKeyOIUIDNARFFDONG-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.13
Rot. Bonds1

About 2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol

2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol (PubChem CID 170083694) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol.

Molecular Properties

Compound Name2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol
PubChem CID170083694
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol
SMILESSCN1CCCCC12COC2
InChIInChI=1S/C8H15NOS/c11-7-9-4-2-1-3-8(9)5-10-6-8/h11H,1-7H2
InChIKeyOIUIDNARFFDONG-UHFFFAOYSA-N
XLogP1.13
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
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 2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol?
The IUPAC name of 2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol (CID 170083694) is 2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol.
What is the SMILES notation for 2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol?
The canonical SMILES for 2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol is SCN1CCCCC12COC2.
What is the InChIKey of 2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol?
The InChIKey is OIUIDNARFFDONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c11-7-9-4-2-1-3-8(9)5-10-6-8/h11H,1-7H2.
What are the key properties of 2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol?
2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol has a molecular weight of 173.28 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5-azaspiro[3.5]nonan-5-ylmethanethiol is sourced from PubChem (CID 170083694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).