2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone

C15H21N3O2S — CID 124804618

IUPAC2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESCN(C)CC(=O)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1
InChIInChI=1S/C15H21N3O2S/c1-17(2)8-14(19)18-10-15(11-18)6-13(9-21-15)20-12-4-3-5-16-7-12/h3-5,7,13H,6,8-11H2,1-2H3/t13-/m1/s1
InChIKeyIOTPGQVZUVGSSW-CYBMUJFWSA-N
MW307.42 g/mol
LogP1.11
Rot. Bonds4

About 2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone

2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 124804618) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
PubChem CID124804618
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESCN(C)CC(=O)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1
InChIInChI=1S/C15H21N3O2S/c1-17(2)8-14(19)18-10-15(11-18)6-13(9-21-15)20-12-4-3-5-16-7-12/h3-5,7,13H,6,8-11H2,1-2H3/t13-/m1/s1
InChIKeyIOTPGQVZUVGSSW-CYBMUJFWSA-N
XLogP1.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124790921
2-methylsulfanyl-1-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155861747
2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124794959
pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131678193
(5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124913264
2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677489
3-fluoro-1-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 155859664
(1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131663043
(3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131677755
(6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124814780
2-cyclopentyloxy-1-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155839124
1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124788196

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone (CID 124804618) is 2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone is CN(C)CC(=O)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1.
What is the InChIKey of 2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is IOTPGQVZUVGSSW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-17(2)8-14(19)18-10-15(11-18)6-13(9-21-15)20-12-4-3-5-16-7-12/h3-5,7,13H,6,8-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 307.42 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 124804618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).