3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane

C12H23NOS — CID 80500654

IUPAC3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane
SMILESCCC1CSC2(CCOC(C(C)C)C2)N1
InChIInChI=1S/C12H23NOS/c1-4-10-8-15-12(13-10)5-6-14-11(7-12)9(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyOFUYGYSTVRKKPS-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.63
Rot. Bonds2

About 3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane

3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane (PubChem CID 80500654) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane
PubChem CID80500654
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane
SMILESCCC1CSC2(CCOC(C(C)C)C2)N1
InChIInChI=1S/C12H23NOS/c1-4-10-8-15-12(13-10)5-6-14-11(7-12)9(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyOFUYGYSTVRKKPS-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane?
The IUPAC name of 3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane (CID 80500654) is 3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane.
What is the SMILES notation for 3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane?
The canonical SMILES for 3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane is CCC1CSC2(CCOC(C(C)C)C2)N1.
What is the InChIKey of 3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane?
The InChIKey is OFUYGYSTVRKKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-4-10-8-15-12(13-10)5-6-14-11(7-12)9(2)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane?
3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane has a molecular weight of 229.39 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane is sourced from PubChem (CID 80500654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).