2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane

C13H18N2OS — CID 131677285

IUPAC2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
SMILESCN1CC2(CC(OCc3cccnc3)CS2)C1
InChIInChI=1S/C13H18N2OS/c1-15-9-13(10-15)5-12(8-17-13)16-7-11-3-2-4-14-6-11/h2-4,6,12H,5,7-10H2,1H3
InChIKeyQIMLVIFWRMRSFJ-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.79
Rot. Bonds3

About 2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane

2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane (PubChem CID 131677285) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
PubChem CID131677285
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
SMILESCN1CC2(CC(OCc3cccnc3)CS2)C1
InChIInChI=1S/C13H18N2OS/c1-15-9-13(10-15)5-12(8-17-13)16-7-11-3-2-4-14-6-11/h2-4,6,12H,5,7-10H2,1H3
InChIKeyQIMLVIFWRMRSFJ-UHFFFAOYSA-N
XLogP1.79
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide
CID 124805254
2-(cyclobutylmethyl)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677421
2-[(3-methoxyphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677497
(7S)-2-[(3-methylthiophen-2-yl)methyl]-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 124912506
2-[(1-ethylpyrazol-4-yl)methyl]-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 133140804
(1-fluorocyclopropyl)-[7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131692468
2-cyclopentyl-1-[(7S)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124795660
(5-methylfuran-2-yl)-[7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 133141659
2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677489
[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone
CID 124791489
2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124785892
(1-methylindol-5-yl)-[7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131692170

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane (CID 131677285) is 2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane is CN1CC2(CC(OCc3cccnc3)CS2)C1.
What is the InChIKey of 2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
The InChIKey is QIMLVIFWRMRSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-15-9-13(10-15)5-12(8-17-13)16-7-11-3-2-4-14-6-11/h2-4,6,12H,5,7-10H2,1H3.
What are the key properties of 2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane has a molecular weight of 250.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 131677285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).