(7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane

C18H21N3OS — CID 124798745

IUPAC(7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
SMILESc1ccc(CO[C@H]2CSC3(C2)CN(Cc2ccccn2)C3)nc1
InChIInChI=1S/C18H21N3OS/c1-3-7-19-15(5-1)10-21-13-18(14-21)9-17(12-23-18)22-11-16-6-2-4-8-20-16/h1-8,17H,9-14H2/t17-/m1/s1
InChIKeyZEJBKRHEFPAMNQ-QGZVFWFLSA-N
MW327.45 g/mol
LogP2.75
Rot. Bonds5

About (7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane

(7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane (PubChem CID 124798745) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is (7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
PubChem CID124798745
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name(7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
SMILESc1ccc(CO[C@H]2CSC3(C2)CN(Cc2ccccn2)C3)nc1
InChIInChI=1S/C18H21N3OS/c1-3-7-19-15(5-1)10-21-13-18(14-21)9-17(12-23-18)22-11-16-6-2-4-8-20-16/h1-8,17H,9-14H2/t17-/m1/s1
InChIKeyZEJBKRHEFPAMNQ-QGZVFWFLSA-N
XLogP2.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane with MolForge

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Related Compounds

2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677258
7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 133143009
2-[(6-methyl-2-pyridinyl)methyl]-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155865776
7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131647834
[(7R)-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
CID 124916047
pyridin-2-yl-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131677620
2-ethoxy-1-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131692577
furan-2-yl-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131660585
(5-methylfuran-2-yl)-[(7S)-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124798444
2-cyclopropylsulfonyl-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155863186
(3-methylfuran-2-yl)-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131692555
2-(3-fluorophenyl)-1-[(7S)-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124792985

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of (7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane (CID 124798745) is (7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for (7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for (7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane is c1ccc(CO[C@H]2CSC3(C2)CN(Cc2ccccn2)C3)nc1.
What is the InChIKey of (7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
The InChIKey is ZEJBKRHEFPAMNQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-3-7-19-15(5-1)10-21-13-18(14-21)9-17(12-23-18)22-11-16-6-2-4-8-20-16/h1-8,17H,9-14H2/t17-/m1/s1.
What are the key properties of (7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
(7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane has a molecular weight of 327.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 124798745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).