3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

C14H22N2O2S — CID 131660546

IUPAC3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCOCC1CC2(CCN(Cc3nccs3)CC2)CO1
InChIInChI=1S/C14H22N2O2S/c1-17-10-12-8-14(11-18-12)2-5-16(6-3-14)9-13-15-4-7-19-13/h4,7,12H,2-3,5-6,8-11H2,1H3
InChIKeyLBGZMXBJGPMQJC-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.16
Rot. Bonds4

About 3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 131660546) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID131660546
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCOCC1CC2(CCN(Cc3nccs3)CC2)CO1
InChIInChI=1S/C14H22N2O2S/c1-17-10-12-8-14(11-18-12)2-5-16(6-3-14)9-13-15-4-7-19-13/h4,7,12H,2-3,5-6,8-11H2,1H3
InChIKeyLBGZMXBJGPMQJC-UHFFFAOYSA-N
XLogP2.16
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (CID 131660546) is 3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is COCC1CC2(CCN(Cc3nccs3)CC2)CO1.
What is the InChIKey of 3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is LBGZMXBJGPMQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-17-10-12-8-14(11-18-12)2-5-16(6-3-14)9-13-15-4-7-19-13/h4,7,12H,2-3,5-6,8-11H2,1H3.
What are the key properties of 3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 282.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131660546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).