[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone

C17H25NO3S — CID 97216060

IUPAC[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone
SMILESCCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1sccc1CC)CC2
InChIInChI=1S/C17H25NO3S/c1-3-12-5-10-22-15(12)16(20)18-8-6-17(7-9-18)13(19)11-14(17)21-4-2/h5,10,13-14,19H,3-4,6-9,11H2,1-2H3/t13-,14-/m1/s1
InChIKeyIESXXSNZWXMFLQ-ZIAGYGMSSA-N
MW323.46 g/mol
LogP2.70
Rot. Bonds4

About [(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone

[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone (PubChem CID 97216060) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is [(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone
PubChem CID97216060
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone
SMILESCCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1sccc1CC)CC2
InChIInChI=1S/C17H25NO3S/c1-3-12-5-10-22-15(12)16(20)18-8-6-17(7-9-18)13(19)11-14(17)21-4-2/h5,10,13-14,19H,3-4,6-9,11H2,1-2H3/t13-,14-/m1/s1
InChIKeyIESXXSNZWXMFLQ-ZIAGYGMSSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 97100810
[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 97100812
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 111456792
(5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 97216107
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97216105
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(4-ethyl-2-hydroxyphenyl)methanone
CID 124623467
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone
CID 111456935
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
CID 111456864
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-methylfuran-2-yl)methanone
CID 97100801
(3-chloro-2-methylphenyl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 124627681
(1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 99698152
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone
CID 97100846

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone?
The IUPAC name of [(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone (CID 97216060) is [(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone.
What is the SMILES notation for [(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone?
The canonical SMILES for [(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone is CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1sccc1CC)CC2.
What is the InChIKey of [(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone?
The InChIKey is IESXXSNZWXMFLQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-3-12-5-10-22-15(12)16(20)18-8-6-17(7-9-18)13(19)11-14(17)21-4-2/h5,10,13-14,19H,3-4,6-9,11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone?
[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone has a molecular weight of 323.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 97216060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).