8-oxa-2-thia-5-azaspiro[3.5]nonane

C6H11NOS — CID 124519338

IUPAC8-oxa-2-thia-5-azaspiro[3.5]nonane
SMILESC1COCC2(CSC2)N1
InChIInChI=1S/C6H11NOS/c1-2-8-3-6(7-1)4-9-5-6/h7H,1-5H2
InChIKeyHWUOLNZXEPXFAQ-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.09
Rot. Bonds

About 8-oxa-2-thia-5-azaspiro[3.5]nonane

8-oxa-2-thia-5-azaspiro[3.5]nonane (PubChem CID 124519338) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 8-oxa-2-thia-5-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-oxa-2-thia-5-azaspiro[3.5]nonane
PubChem CID124519338
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name8-oxa-2-thia-5-azaspiro[3.5]nonane
SMILESC1COCC2(CSC2)N1
InChIInChI=1S/C6H11NOS/c1-2-8-3-6(7-1)4-9-5-6/h7H,1-5H2
InChIKeyHWUOLNZXEPXFAQ-UHFFFAOYSA-N
XLogP0.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-2-thia-5-azaspiro[3.5]nonane?
The IUPAC name of 8-oxa-2-thia-5-azaspiro[3.5]nonane (CID 124519338) is 8-oxa-2-thia-5-azaspiro[3.5]nonane.
What is the SMILES notation for 8-oxa-2-thia-5-azaspiro[3.5]nonane?
The canonical SMILES for 8-oxa-2-thia-5-azaspiro[3.5]nonane is C1COCC2(CSC2)N1.
What is the InChIKey of 8-oxa-2-thia-5-azaspiro[3.5]nonane?
The InChIKey is HWUOLNZXEPXFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-2-8-3-6(7-1)4-9-5-6/h7H,1-5H2.
What are the key properties of 8-oxa-2-thia-5-azaspiro[3.5]nonane?
8-oxa-2-thia-5-azaspiro[3.5]nonane has a molecular weight of 145.23 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-2-thia-5-azaspiro[3.5]nonane is sourced from PubChem (CID 124519338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).