[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone

C14H19NO3S — CID 154579335

IUPAC[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone
SMILESCOCCC1COC2(C1)CN(C(=O)c1cccs1)C2
InChIInChI=1S/C14H19NO3S/c1-17-5-4-11-7-14(18-8-11)9-15(10-14)13(16)12-3-2-6-19-12/h2-3,6,11H,4-5,7-10H2,1H3
InChIKeyBCRDYCPGCXAIBU-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.02
Rot. Bonds4

About [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone

[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone (PubChem CID 154579335) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone
PubChem CID154579335
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone
SMILESCOCCC1COC2(C1)CN(C(=O)c1cccs1)C2
InChIInChI=1S/C14H19NO3S/c1-17-5-4-11-7-14(18-8-11)9-15(10-14)13(16)12-3-2-6-19-12/h2-3,6,11H,4-5,7-10H2,1H3
InChIKeyBCRDYCPGCXAIBU-UHFFFAOYSA-N
XLogP2.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 146074060
[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 97485356
[(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
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 131645397
(4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395183
[(4S,5R)-2-(2-methoxyethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 97472410
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-2-ylmethanone
CID 131659884
thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688223
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 131646194
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-thiophen-2-ylmethanone
CID 114781574

Frequently Asked Questions

What is the IUPAC name of [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone (CID 154579335) is [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone is COCCC1COC2(C1)CN(C(=O)c1cccs1)C2.
What is the InChIKey of [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone?
The InChIKey is BCRDYCPGCXAIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-17-5-4-11-7-14(18-8-11)9-15(10-14)13(16)12-3-2-6-19-12/h2-3,6,11H,4-5,7-10H2,1H3.
What are the key properties of [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone?
[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone has a molecular weight of 281.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 154579335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).