8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

C20H26N2O2S — CID 118745759

IUPAC8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESCc1ccsc1CN1CCC2(CC1)CC(OCc1cccnc1)CO2
InChIInChI=1S/C20H26N2O2S/c1-16-4-10-25-19(16)13-22-8-5-20(6-9-22)11-18(15-24-20)23-14-17-3-2-7-21-12-17/h2-4,7,10,12,18H,5-6,8-9,11,13-15H2,1H3
InChIKeyWOTYUTFDFRUPTO-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.79
Rot. Bonds5

About 8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118745759) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID118745759
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESCc1ccsc1CN1CCC2(CC1)CC(OCc1cccnc1)CO2
InChIInChI=1S/C20H26N2O2S/c1-16-4-10-25-19(16)13-22-8-5-20(6-9-22)11-18(15-24-20)23-14-17-3-2-7-21-12-17/h2-4,7,10,12,18H,5-6,8-9,11,13-15H2,1H3
InChIKeyWOTYUTFDFRUPTO-UHFFFAOYSA-N
XLogP3.79
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (CID 118745759) is 8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is Cc1ccsc1CN1CCC2(CC1)CC(OCc1cccnc1)CO2.
What is the InChIKey of 8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is WOTYUTFDFRUPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-16-4-10-25-19(16)13-22-8-5-20(6-9-22)11-18(15-24-20)23-14-17-3-2-7-21-12-17/h2-4,7,10,12,18H,5-6,8-9,11,13-15H2,1H3.
What are the key properties of 8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 358.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118745759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).