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

C18H22N2OS — CID 118745889

IUPAC3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc(C2COC3(CCN(Cc4ccsc4)CC3)C2)c1
InChIInChI=1S/C18H22N2OS/c1-2-16(11-19-6-1)17-10-18(21-13-17)4-7-20(8-5-18)12-15-3-9-22-14-15/h1-3,6,9,11,14,17H,4-5,7-8,10,12-13H2
InChIKeyPAPVCEXCIDQGMB-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.68
Rot. Bonds3

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

3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118745889) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID118745889
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc(C2COC3(CCN(Cc4ccsc4)CC3)C2)c1
InChIInChI=1S/C18H22N2OS/c1-2-16(11-19-6-1)17-10-18(21-13-17)4-7-20(8-5-18)12-15-3-9-22-14-15/h1-3,6,9,11,14,17H,4-5,7-8,10,12-13H2
InChIKeyPAPVCEXCIDQGMB-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 118745889) is 3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is c1cncc(C2COC3(CCN(Cc4ccsc4)CC3)C2)c1.
What is the InChIKey of 3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is PAPVCEXCIDQGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-2-16(11-19-6-1)17-10-18(21-13-17)4-7-20(8-5-18)12-15-3-9-22-14-15/h1-3,6,9,11,14,17H,4-5,7-8,10,12-13H2.
What are the key properties of 3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
3-pyridin-3-yl-8-(thiophen-3-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-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118745889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).