3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

C18H22N2OS — CID 118745891

IUPAC3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc(C2COC3(CCN(Cc4cccs4)CC3)C2)c1
InChIInChI=1S/C18H22N2OS/c1-3-15(12-19-7-1)16-11-18(21-14-16)5-8-20(9-6-18)13-17-4-2-10-22-17/h1-4,7,10,12,16H,5-6,8-9,11,13-14H2
InChIKeyAXUBFKKXWAPYIO-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.68
Rot. Bonds3

About 3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118745891) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID118745891
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc(C2COC3(CCN(Cc4cccs4)CC3)C2)c1
InChIInChI=1S/C18H22N2OS/c1-3-15(12-19-7-1)16-11-18(21-14-16)5-8-20(9-6-18)13-17-4-2-10-22-17/h1-4,7,10,12,16H,5-6,8-9,11,13-14H2
InChIKeyAXUBFKKXWAPYIO-UHFFFAOYSA-N
XLogP3.68
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 118745891) is 3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is c1cncc(C2COC3(CCN(Cc4cccs4)CC3)C2)c1.
What is the InChIKey of 3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is AXUBFKKXWAPYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-3-15(12-19-7-1)16-11-18(21-14-16)5-8-20(9-6-18)13-17-4-2-10-22-17/h1-4,7,10,12,16H,5-6,8-9,11,13-14H2.
What are the key properties of 3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 314.45 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118745891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).