(7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane

C18H26N2O2S — CID 124788879

IUPAC(7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane
SMILESc1cc(CN2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)ccn1
InChIInChI=1S/C18H26N2O2S/c1-5-19-6-2-15(1)10-20-13-18(14-20)9-17(12-23-18)22-11-16-3-7-21-8-4-16/h1-2,5-6,16-17H,3-4,7-14H2/t17-/m1/s1
InChIKeyAVZREZMNLNSHHJ-QGZVFWFLSA-N
MW334.49 g/mol
LogP2.58
Rot. Bonds5

About (7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane

(7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane (PubChem CID 124788879) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is (7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane
PubChem CID124788879
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name(7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane
SMILESc1cc(CN2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)ccn1
InChIInChI=1S/C18H26N2O2S/c1-5-19-6-2-15(1)10-20-13-18(14-20)9-17(12-23-18)22-11-16-3-7-21-8-4-16/h1-2,5-6,16-17H,3-4,7-14H2/t17-/m1/s1
InChIKeyAVZREZMNLNSHHJ-QGZVFWFLSA-N
XLogP2.58
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-chlorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677540
2-[(3-chlorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677612
2-[(3-fluorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677549
[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
CID 131662707
2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677492
2-[(2-fluorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131640262
(7S)-2-[(2-fluorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 124783024
7-methoxy-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 131647519
2-[(3-fluorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155859653
2-cyclopentyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677496
7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane
CID 131663709
2-(4-methylphenyl)-1-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124792912

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of (7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane (CID 124788879) is (7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for (7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for (7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane is c1cc(CN2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)ccn1.
What is the InChIKey of (7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
The InChIKey is AVZREZMNLNSHHJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-5-19-6-2-15(1)10-20-13-18(14-20)9-17(12-23-18)22-11-16-3-7-21-8-4-16/h1-2,5-6,16-17H,3-4,7-14H2/t17-/m1/s1.
What are the key properties of (7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane?
(7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane has a molecular weight of 334.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 124788879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).