6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane

C9H17NOS — CID 122597275

IUPAC6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane
SMILESCCC1CCOCC12NCCS2
InChIInChI=1S/C9H17NOS/c1-2-8-3-5-11-7-9(8)10-4-6-12-9/h8,10H,2-7H2,1H3
InChIKeyRZJNYWZTGQOFCE-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.47
Rot. Bonds1

About 6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane

6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane (PubChem CID 122597275) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane
PubChem CID122597275
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane
SMILESCCC1CCOCC12NCCS2
InChIInChI=1S/C9H17NOS/c1-2-8-3-5-11-7-9(8)10-4-6-12-9/h8,10H,2-7H2,1H3
InChIKeyRZJNYWZTGQOFCE-UHFFFAOYSA-N
XLogP1.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane?
The IUPAC name of 6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane (CID 122597275) is 6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane.
What is the SMILES notation for 6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane?
The canonical SMILES for 6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane is CCC1CCOCC12NCCS2.
What is the InChIKey of 6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane?
The InChIKey is RZJNYWZTGQOFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-2-8-3-5-11-7-9(8)10-4-6-12-9/h8,10H,2-7H2,1H3.
What are the key properties of 6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane?
6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane has a molecular weight of 187.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-9-oxa-1-thia-4-azaspiro[4.5]decane is sourced from PubChem (CID 122597275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).