2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane

C12H16N2OS — CID 131677489

IUPAC2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
SMILESCN1CC2(CC(Oc3cccnc3)CS2)C1
InChIInChI=1S/C12H16N2OS/c1-14-8-12(9-14)5-11(7-16-12)15-10-3-2-4-13-6-10/h2-4,6,11H,5,7-9H2,1H3
InChIKeyNSEGZWRSURZZNK-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.65
Rot. Bonds2

About 2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane

2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane (PubChem CID 131677489) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
PubChem CID131677489
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
SMILESCN1CC2(CC(Oc3cccnc3)CS2)C1
InChIInChI=1S/C12H16N2OS/c1-14-8-12(9-14)5-11(7-16-12)15-10-3-2-4-13-6-10/h2-4,6,11H,5,7-9H2,1H3
InChIKeyNSEGZWRSURZZNK-UHFFFAOYSA-N
XLogP1.65
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane
CID 133140244
2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131662162
2-(pyridin-4-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677717
pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131678193
(7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane
CID 124779774
2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124804618
(1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131663043
(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 124810447
2-methyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677285
2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131663105
(7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 124799097
(5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124913264

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane (CID 131677489) is 2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane is CN1CC2(CC(Oc3cccnc3)CS2)C1.
What is the InChIKey of 2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
The InChIKey is NSEGZWRSURZZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-14-8-12(9-14)5-11(7-16-12)15-10-3-2-4-13-6-10/h2-4,6,11H,5,7-9H2,1H3.
What are the key properties of 2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane has a molecular weight of 236.34 g/mol, XLogP of 1.65, 2 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-yloxy-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 131677489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).