[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone

C15H21NO3S — CID 97485356

IUPAC[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
SMILESCOCC[C@H]1CO[C@]2(CCN(C(=O)c3ccsc3)C2)C1
InChIInChI=1S/C15H21NO3S/c1-18-6-2-12-8-15(19-9-12)4-5-16(11-15)14(17)13-3-7-20-10-13/h3,7,10,12H,2,4-6,8-9,11H2,1H3/t12-,15-/m1/s1
InChIKeyQZHCWIVNRXXKEC-IUODEOHRSA-N
MW295.40 g/mol
LogP2.41
Rot. Bonds4

About [(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone

[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone (PubChem CID 97485356) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is [(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
PubChem CID97485356
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
SMILESCOCC[C@H]1CO[C@]2(CCN(C(=O)c3ccsc3)C2)C1
InChIInChI=1S/C15H21NO3S/c1-18-6-2-12-8-15(19-9-12)4-5-16(11-15)14(17)13-3-7-20-10-13/h3,7,10,12H,2,4-6,8-9,11H2,1H3/t12-,15-/m1/s1
InChIKeyQZHCWIVNRXXKEC-IUODEOHRSA-N
XLogP2.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone with MolForge

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Related Compounds

(4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395183
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 131645397
[(3S,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 97394064
[(3R)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394793
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394794
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97487075
[(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 97486693
[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone
CID 154579335
[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
CID 131645055
[3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 134074886
[(3R,5R)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 97394035
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 131646194

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone (CID 97485356) is [(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone is COCC[C@H]1CO[C@]2(CCN(C(=O)c3ccsc3)C2)C1.
What is the InChIKey of [(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone?
The InChIKey is QZHCWIVNRXXKEC-IUODEOHRSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-18-6-2-12-8-15(19-9-12)4-5-16(11-15)14(17)13-3-7-20-10-13/h3,7,10,12H,2,4-6,8-9,11H2,1H3/t12-,15-/m1/s1.
What are the key properties of [(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone?
[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone has a molecular weight of 295.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97485356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).