(1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide

C17H26N2O3S — CID 99608200

IUPAC(1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCO[C@H]1C[C@H](O)C12CCN(C(=O)NCCc1cccs1)CC2
InChIInChI=1S/C17H26N2O3S/c1-2-22-15-12-14(20)17(15)6-9-19(10-7-17)16(21)18-8-5-13-4-3-11-23-13/h3-4,11,14-15,20H,2,5-10,12H2,1H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyITIBODKZYJDTQG-GJZGRUSLSA-N
MW338.47 g/mol
LogP2.25
Rot. Bonds5

About (1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide

(1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 99608200) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID99608200
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCO[C@H]1C[C@H](O)C12CCN(C(=O)NCCc1cccs1)CC2
InChIInChI=1S/C17H26N2O3S/c1-2-22-15-12-14(20)17(15)6-9-19(10-7-17)16(21)18-8-5-13-4-3-11-23-13/h3-4,11,14-15,20H,2,5-10,12H2,1H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyITIBODKZYJDTQG-GJZGRUSLSA-N
XLogP2.25
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 133110763
(1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 99698152
[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone
CID 97216060
1-[(1S,3R,4R)-3-ethoxy-5-oxaspiro[3.4]octan-1-yl]-3-(2-thiophen-2-ylethyl)urea
CID 125137683
3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145705
(1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide
CID 129430027
3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine
CID 65167746
4-(thiophene-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 121496273
2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 111456899
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 111456792
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone
CID 111456935
(5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 97216107

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide (CID 99608200) is (1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide is CCO[C@H]1C[C@H](O)C12CCN(C(=O)NCCc1cccs1)CC2.
What is the InChIKey of (1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is ITIBODKZYJDTQG-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-2-22-15-12-14(20)17(15)6-9-19(10-7-17)16(21)18-8-5-13-4-3-11-23-13/h3-4,11,14-15,20H,2,5-10,12H2,1H3,(H,18,21)/t14-,15-/m0/s1.
What are the key properties of (1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide?
(1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 99608200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).