1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone

C17H23NO3S — CID 95525281

IUPAC1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
SMILESO=C(c1ccc([C@@H]2CCCO2)s1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C17H23NO3S/c19-16(15-5-4-14(22-15)13-3-1-11-20-13)18-9-7-17(8-10-18)6-2-12-21-17/h4-5,13H,1-3,6-12H2/t13-/m0/s1
InChIKeyAEYUKQXORWWEST-ZDUSSCGKSA-N
MW321.44 g/mol
LogP3.38
Rot. Bonds2

About 1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone

1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone (PubChem CID 95525281) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is 1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
PubChem CID95525281
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
SMILESO=C(c1ccc([C@@H]2CCCO2)s1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C17H23NO3S/c19-16(15-5-4-14(22-15)13-3-1-11-20-13)18-9-7-17(8-10-18)6-2-12-21-17/h4-5,13H,1-3,6-12H2/t13-/m0/s1
InChIKeyAEYUKQXORWWEST-ZDUSSCGKSA-N
XLogP3.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 72842150
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 95131723
formic acid;1-(2-methylpropyl)-8-[5-(oxolan-2-yl)thiophene-2-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 171325661
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 97124840
[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2R)-oxolan-2-yl]thiophen-2-yl]methanone
CID 97155055
[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 97155054
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 95896182
5-[5-[(2R)-oxolan-2-yl]thiophene-2-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile
CID 95126713
5-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)thiophene-2-carboxylic acid
CID 120695829
3-methyl-1-[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529355
5-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)thiophene-2-carboxamide
CID 72923589
N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 50968215

Frequently Asked Questions

What is the IUPAC name of 1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone?
The IUPAC name of 1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone (CID 95525281) is 1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone.
What is the SMILES notation for 1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone?
The canonical SMILES for 1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone is O=C(c1ccc([C@@H]2CCCO2)s1)N1CCC2(CCCO2)CC1.
What is the InChIKey of 1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone?
The InChIKey is AEYUKQXORWWEST-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23NO3S/c19-16(15-5-4-14(22-15)13-3-1-11-20-13)18-9-7-17(8-10-18)6-2-12-21-17/h4-5,13H,1-3,6-12H2/t13-/m0/s1.
What are the key properties of 1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone?
1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone has a molecular weight of 321.44 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 95525281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).