(3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]

C18H20N2OS — CID 10064120

IUPAC(3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESCc1csc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)c1
InChIInChI=1S/C18H20N2OS/c1-12-6-16(22-10-12)14-7-13-8-18(21-17(13)19-9-14)11-20-4-2-15(18)3-5-20/h6-7,9-10,15H,2-5,8,11H2,1H3/t18-/m0/s1
InChIKeyXMYKXOCVJKLGSH-SFHVURJKSA-N
MW312.44 g/mol
LogP3.52
Rot. Bonds1

About (3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]

(3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (PubChem CID 10064120) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is (3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].

Molecular Properties

Compound Name(3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
PubChem CID10064120
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name(3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESCc1csc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)c1
InChIInChI=1S/C18H20N2OS/c1-12-6-16(22-10-12)14-7-13-8-18(21-17(13)19-9-14)11-20-4-2-15(18)3-5-20/h6-7,9-10,15H,2-5,8,11H2,1H3/t18-/m0/s1
InChIKeyXMYKXOCVJKLGSH-SFHVURJKSA-N
XLogP3.52
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The IUPAC name of (3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (CID 10064120) is (3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].
What is the SMILES notation for (3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The canonical SMILES for (3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is Cc1csc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)c1.
What is the InChIKey of (3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The InChIKey is XMYKXOCVJKLGSH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-12-6-16(22-10-12)14-7-13-8-18(21-17(13)19-9-14)11-20-4-2-15(18)3-5-20/h6-7,9-10,15H,2-5,8,11H2,1H3/t18-/m0/s1.
What are the key properties of (3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
(3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] has a molecular weight of 312.44 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5'-(4-methylthiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is sourced from PubChem (CID 10064120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).