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

C12H16N2O3S2 — CID 131662162

IUPAC2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
SMILESCS(=O)(=O)N1CC2(CC(Oc3cccnc3)CS2)C1
InChIInChI=1S/C12H16N2O3S2/c1-19(15,16)14-8-12(9-14)5-11(7-18-12)17-10-3-2-4-13-6-10/h2-4,6,11H,5,7-9H2,1H3
InChIKeySYLASPMQTDBTTL-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.98
Rot. Bonds3

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

2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane (PubChem CID 131662162) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
PubChem CID131662162
Molecular FormulaC12H16N2O3S2
Molecular Weight300.40 g/mol
Exact Mass300.06
IUPAC Name2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
SMILESCS(=O)(=O)N1CC2(CC(Oc3cccnc3)CS2)C1
InChIInChI=1S/C12H16N2O3S2/c1-19(15,16)14-8-12(9-14)5-11(7-18-12)17-10-3-2-4-13-6-10/h2-4,6,11H,5,7-9H2,1H3
InChIKeySYLASPMQTDBTTL-UHFFFAOYSA-N
XLogP0.98
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane
CID 124779774
2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677489
7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane
CID 133140244
N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 155834661
2-(benzenesulfonyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155831362
pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131678193
2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124804618
2-(pyridin-4-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677717
(1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131663043
(5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124913264
2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124790921
(3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131677755

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane (CID 131662162) is 2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane is CS(=O)(=O)N1CC2(CC(Oc3cccnc3)CS2)C1.
What is the InChIKey of 2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
The InChIKey is SYLASPMQTDBTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-19(15,16)14-8-12(9-14)5-11(7-18-12)17-10-3-2-4-13-6-10/h2-4,6,11H,5,7-9H2,1H3.
What are the key properties of 2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane has a molecular weight of 300.40 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 131662162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).