[(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone

C19H22N2O2S — CID 97489100

IUPAC[(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@]2(C[C@@H](Nc3ccccc3)CO2)C1
InChIInChI=1S/C19H22N2O2S/c22-18(15-7-10-24-13-15)21-9-4-8-19(14-21)11-17(12-23-19)20-16-5-2-1-3-6-16/h1-3,5-7,10,13,17,20H,4,8-9,11-12,14H2/t17-,19+/m1/s1
InChIKeyFHASGJGEKPBILQ-MJGOQNOKSA-N
MW342.46 g/mol
LogP3.62
Rot. Bonds3

About [(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone

[(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone (PubChem CID 97489100) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is [(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
PubChem CID97489100
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name[(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@]2(C[C@@H](Nc3ccccc3)CO2)C1
InChIInChI=1S/C19H22N2O2S/c22-18(15-7-10-24-13-15)21-9-4-8-19(14-21)11-17(12-23-19)20-16-5-2-1-3-6-16/h1-3,5-7,10,13,17,20H,4,8-9,11-12,14H2/t17-,19+/m1/s1
InChIKeyFHASGJGEKPBILQ-MJGOQNOKSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone with MolForge

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Related Compounds

(3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone
CID 134075043
[(3S,5R)-3-(3-fluoroanilino)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-4-ylmethanone
CID 97489170
[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
CID 97419526
[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
CID 97419504
pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97394513
pyridin-3-yl-[(3S,5R)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97394514
[(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 97486693
[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155830003
[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 97485356
3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide
CID 155873086
[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97489467
[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone
CID 97371841

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone (CID 97489100) is [(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC[C@]2(C[C@@H](Nc3ccccc3)CO2)C1.
What is the InChIKey of [(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone?
The InChIKey is FHASGJGEKPBILQ-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-18(15-7-10-24-13-15)21-9-4-8-19(14-21)11-17(12-23-19)20-16-5-2-1-3-6-16/h1-3,5-7,10,13,17,20H,4,8-9,11-12,14H2/t17-,19+/m1/s1.
What are the key properties of [(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone?
[(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone has a molecular weight of 342.46 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-anilino-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97489100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).