9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane

C7H13NOS — CID 146386656

IUPAC9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane
SMILESSN1CCCCC12CCO2
InChIInChI=1S/C7H13NOS/c10-8-5-2-1-3-7(8)4-6-9-7/h10H,1-6H2
InChIKeyFPZWSEUHFGGYKF-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.43
Rot. Bonds

About 9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane

9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane (PubChem CID 146386656) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane.

Molecular Properties

Compound Name9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane
PubChem CID146386656
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane
SMILESSN1CCCCC12CCO2
InChIInChI=1S/C7H13NOS/c10-8-5-2-1-3-7(8)4-6-9-7/h10H,1-6H2
InChIKeyFPZWSEUHFGGYKF-UHFFFAOYSA-N
XLogP1.43
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.43
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 9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane?
The IUPAC name of 9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane (CID 146386656) is 9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane.
What is the SMILES notation for 9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane?
The canonical SMILES for 9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane is SN1CCCCC12CCO2.
What is the InChIKey of 9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane?
The InChIKey is FPZWSEUHFGGYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c10-8-5-2-1-3-7(8)4-6-9-7/h10H,1-6H2.
What are the key properties of 9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane?
9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane has a molecular weight of 159.25 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane is sourced from PubChem (CID 146386656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).