7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate

C19H27NO3S — CID 122689779

IUPAC7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate
SMILESO=C(OC1CC2(CCNCC2)C1)C(O)(c1cccs1)C1CCCC1
InChIInChI=1S/C19H27NO3S/c21-17(23-15-12-18(13-15)7-9-20-10-8-18)19(22,14-4-1-2-5-14)16-6-3-11-24-16/h3,6,11,14-15,20,22H,1-2,4-5,7-10,12-13H2
InChIKeyAIDAJSNWAVORQP-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.20
Rot. Bonds4

About 7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate

7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate (PubChem CID 122689779) has the molecular formula C19H27NO3S and a molecular weight of 349.50 g/mol. Its IUPAC name is 7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate.

Molecular Properties

Compound Name7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate
PubChem CID122689779
Molecular FormulaC19H27NO3S
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Name7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate
SMILESO=C(OC1CC2(CCNCC2)C1)C(O)(c1cccs1)C1CCCC1
InChIInChI=1S/C19H27NO3S/c21-17(23-15-12-18(13-15)7-9-20-10-8-18)19(22,14-4-1-2-5-14)16-6-3-11-24-16/h3,6,11,14-15,20,22H,1-2,4-5,7-10,12-13H2
InChIKeyAIDAJSNWAVORQP-UHFFFAOYSA-N
XLogP3.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;propane
CID 145233949
[(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate;[(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate;methane
CID 159400023
[(3R)-1,1-dimethylpiperidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate
CID 70004011
[7-(methylamino)spiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate
CID 155669124
[(1S,2S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] (2R)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate
CID 102601409
prop-2-ynyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate
CID 19817183
[(1R,2R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] (2R)-2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate
CID 131882697
2-methylbut-3-yn-2-yl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate
CID 15752897
tert-butyl 2-(2-hydroxy-2,2-dithiophen-2-ylacetyl)oxy-8-azaspiro[3.6]decane-8-carboxylate
CID 155669119
(1,1-dimethylpiperidin-1-ium-4-yl) (2S)-2-cyclopentyl-2-thiophen-2-ylpropanoate
CID 91137322
benzyl 8-(2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetyl)oxy-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 11684216
[(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-thiophen-2-ylacetate bromide
CID 44545235

Frequently Asked Questions

What is the IUPAC name of 7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate?
The IUPAC name of 7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate (CID 122689779) is 7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate.
What is the SMILES notation for 7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate?
The canonical SMILES for 7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate is O=C(OC1CC2(CCNCC2)C1)C(O)(c1cccs1)C1CCCC1.
What is the InChIKey of 7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate?
The InChIKey is AIDAJSNWAVORQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3S/c21-17(23-15-12-18(13-15)7-9-20-10-8-18)19(22,14-4-1-2-5-14)16-6-3-11-24-16/h3,6,11,14-15,20,22H,1-2,4-5,7-10,12-13H2.
What are the key properties of 7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate?
7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate has a molecular weight of 349.50 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate is sourced from PubChem (CID 122689779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).