3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane

C9H17NOS — CID 82717464

IUPAC3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane
SMILESCCC1CSC2(CCOC2C)N1
InChIInChI=1S/C9H17NOS/c1-3-8-6-12-9(10-8)4-5-11-7(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeyUVFXIZZXIZNVDY-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.61
Rot. Bonds1

About 3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane

3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane (PubChem CID 82717464) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane.

Molecular Properties

Compound Name3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane
PubChem CID82717464
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane
SMILESCCC1CSC2(CCOC2C)N1
InChIInChI=1S/C9H17NOS/c1-3-8-6-12-9(10-8)4-5-11-7(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeyUVFXIZZXIZNVDY-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane?
The IUPAC name of 3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane (CID 82717464) is 3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane.
What is the SMILES notation for 3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane?
The canonical SMILES for 3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane is CCC1CSC2(CCOC2C)N1.
What is the InChIKey of 3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane?
The InChIKey is UVFXIZZXIZNVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-3-8-6-12-9(10-8)4-5-11-7(9)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane?
3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane has a molecular weight of 187.31 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane is sourced from PubChem (CID 82717464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).