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

C16H20N2O2S — CID 131692274

IUPAC2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone
SMILESO=C(CC1CC1)N1CC2(CC(Oc3ccccn3)CS2)C1
InChIInChI=1S/C16H20N2O2S/c19-15(7-12-4-5-12)18-10-16(11-18)8-13(9-21-16)20-14-3-1-2-6-17-14/h1-3,6,12-13H,4-5,7-11H2
InChIKeyIJQKVVVPQVSCOX-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.35
Rot. Bonds4

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

2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone (PubChem CID 131692274) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone
PubChem CID131692274
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone
SMILESO=C(CC1CC1)N1CC2(CC(Oc3ccccn3)CS2)C1
InChIInChI=1S/C16H20N2O2S/c19-15(7-12-4-5-12)18-10-16(11-18)8-13(9-21-16)20-14-3-1-2-6-17-14/h1-3,6,12-13H,4-5,7-11H2
InChIKeyIJQKVVVPQVSCOX-UHFFFAOYSA-N
XLogP2.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone 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

2-methyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)propan-1-one
CID 131692273
[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone
CID 124791057
furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131656106
(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone
CID 131652969
(7S)-2-ethylsulfonyl-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octane
CID 124895940
2-methyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 155859941
(3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124893626
2-cyclopropyl-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155869247
(5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131692404
(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-quinolin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155848264
(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 131692142
(3-hydroxyphenyl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155863891

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone (CID 131692274) is 2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone is O=C(CC1CC1)N1CC2(CC(Oc3ccccn3)CS2)C1.
What is the InChIKey of 2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone?
The InChIKey is IJQKVVVPQVSCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-15(7-12-4-5-12)18-10-16(11-18)8-13(9-21-16)20-14-3-1-2-6-17-14/h1-3,6,12-13H,4-5,7-11H2.
What are the key properties of 2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone?
2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone has a molecular weight of 304.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone is sourced from PubChem (CID 131692274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).