8-oxa-1-thia-4-azaspiro[4.5]decane

C7H13NOS — CID 50853196

IUPAC8-oxa-1-thia-4-azaspiro[4.5]decane
SMILESC1CSC2(CCOCC2)N1
InChIInChI=1S/C7H13NOS/c1-4-9-5-2-7(1)8-3-6-10-7/h8H,1-6H2
InChIKeyLXVAJEMCPLGMBD-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.83
Rot. Bonds

About 8-oxa-1-thia-4-azaspiro[4.5]decane

8-oxa-1-thia-4-azaspiro[4.5]decane (PubChem CID 50853196) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 8-oxa-1-thia-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-oxa-1-thia-4-azaspiro[4.5]decane
PubChem CID50853196
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name8-oxa-1-thia-4-azaspiro[4.5]decane
SMILESC1CSC2(CCOCC2)N1
InChIInChI=1S/C7H13NOS/c1-4-9-5-2-7(1)8-3-6-10-7/h8H,1-6H2
InChIKeyLXVAJEMCPLGMBD-UHFFFAOYSA-N
XLogP0.83
TPSA21.26 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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-1-thia-4-azaspiro[4.5]decane?
The IUPAC name of 8-oxa-1-thia-4-azaspiro[4.5]decane (CID 50853196) is 8-oxa-1-thia-4-azaspiro[4.5]decane.
What is the SMILES notation for 8-oxa-1-thia-4-azaspiro[4.5]decane?
The canonical SMILES for 8-oxa-1-thia-4-azaspiro[4.5]decane is C1CSC2(CCOCC2)N1.
What is the InChIKey of 8-oxa-1-thia-4-azaspiro[4.5]decane?
The InChIKey is LXVAJEMCPLGMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-4-9-5-2-7(1)8-3-6-10-7/h8H,1-6H2.
What are the key properties of 8-oxa-1-thia-4-azaspiro[4.5]decane?
8-oxa-1-thia-4-azaspiro[4.5]decane has a molecular weight of 159.25 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-1-thia-4-azaspiro[4.5]decane is sourced from PubChem (CID 50853196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).