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

C6H11NOS — CID 83479262

IUPAC5-oxa-2-thia-8-azaspiro[3.5]nonane
SMILESC1COC2(CN1)CSC2
InChIInChI=1S/C6H11NOS/c1-2-8-6(3-7-1)4-9-5-6/h7H,1-5H2
InChIKeyVATWRYQJHZSXOS-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.09
Rot. Bonds

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

5-oxa-2-thia-8-azaspiro[3.5]nonane (PubChem CID 83479262) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 5-oxa-2-thia-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name5-oxa-2-thia-8-azaspiro[3.5]nonane
PubChem CID83479262
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name5-oxa-2-thia-8-azaspiro[3.5]nonane
SMILESC1COC2(CN1)CSC2
InChIInChI=1S/C6H11NOS/c1-2-8-6(3-7-1)4-9-5-6/h7H,1-5H2
InChIKeyVATWRYQJHZSXOS-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 5-oxa-2-thia-8-azaspiro[3.5]nonane?
The IUPAC name of 5-oxa-2-thia-8-azaspiro[3.5]nonane (CID 83479262) is 5-oxa-2-thia-8-azaspiro[3.5]nonane.
What is the SMILES notation for 5-oxa-2-thia-8-azaspiro[3.5]nonane?
The canonical SMILES for 5-oxa-2-thia-8-azaspiro[3.5]nonane is C1COC2(CN1)CSC2.
What is the InChIKey of 5-oxa-2-thia-8-azaspiro[3.5]nonane?
The InChIKey is VATWRYQJHZSXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-2-8-6(3-7-1)4-9-5-6/h7H,1-5H2.
What are the key properties of 5-oxa-2-thia-8-azaspiro[3.5]nonane?
5-oxa-2-thia-8-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 5-oxa-2-thia-8-azaspiro[3.5]nonane is sourced from PubChem (CID 83479262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).