1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone

C15H21NO3S — CID 124828538

IUPAC1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone
SMILESCCO[C@H]1CCOC2(C1)CN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C15H21NO3S/c1-2-18-12-5-6-19-15(9-12)10-16(11-15)14(17)8-13-4-3-7-20-13/h3-4,7,12H,2,5-6,8-11H2,1H3/t12-/m0/s1
InChIKeyPZTOSFRLPXISMD-LBPRGKRZSA-N
MW295.40 g/mol
LogP2.09
Rot. Bonds4

About 1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone

1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone (PubChem CID 124828538) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone
PubChem CID124828538
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone
SMILESCCO[C@H]1CCOC2(C1)CN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C15H21NO3S/c1-2-18-12-5-6-19-15(9-12)10-16(11-15)14(17)8-13-4-3-7-20-13/h3-4,7,12H,2,5-6,8-11H2,1H3/t12-/m0/s1
InChIKeyPZTOSFRLPXISMD-LBPRGKRZSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone with MolForge

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Related Compounds

N-[(5R,9R)-2-(2-thiophen-2-ylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420129
(8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124912592
1-[(4S)-4-ethoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-thiophen-2-ylethanone
CID 124869984
2-(4-methylphenyl)-1-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124796344
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 80552497
1-[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-thiophen-2-ylethanone
CID 97420030
1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-thiophen-2-ylethanone
CID 71789583
2-(4-methylphenyl)-1-[(8R)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124794996
2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124796331
1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one
CID 133143306
4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
CID 131692918
2-(4-fluorophenyl)-1-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124792285

Frequently Asked Questions

What is the IUPAC name of 1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone (CID 124828538) is 1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone is CCO[C@H]1CCOC2(C1)CN(C(=O)Cc1cccs1)C2.
What is the InChIKey of 1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone?
The InChIKey is PZTOSFRLPXISMD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-2-18-12-5-6-19-15(9-12)10-16(11-15)14(17)8-13-4-3-7-20-13/h3-4,7,12H,2,5-6,8-11H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone?
1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone has a molecular weight of 295.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S)-8-ethoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 124828538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).