N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide

C17H30N2O2S — CID 119939918

IUPACN-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCOC1CC(NC(=O)CC2CSCCN2)C12CCCCC2
InChIInChI=1S/C17H30N2O2S/c1-2-21-15-11-14(17(15)6-4-3-5-7-17)19-16(20)10-13-12-22-9-8-18-13/h13-15,18H,2-12H2,1H3,(H,19,20)
InChIKeyLPUVWQLLPNDGBJ-UHFFFAOYSA-N
MW326.51 g/mol
LogP2.33
Rot. Bonds5

About N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide

N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119939918) has the molecular formula C17H30N2O2S and a molecular weight of 326.51 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID119939918
Molecular FormulaC17H30N2O2S
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCOC1CC(NC(=O)CC2CSCCN2)C12CCCCC2
InChIInChI=1S/C17H30N2O2S/c1-2-21-15-11-14(17(15)6-4-3-5-7-17)19-16(20)10-13-12-22-9-8-18-13/h13-15,18H,2-12H2,1H3,(H,19,20)
InChIKeyLPUVWQLLPNDGBJ-UHFFFAOYSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide 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

N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119939729
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide
CID 119335892
3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
CID 119334931
1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid
CID 66422266
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
CID 119329855
N-(3-ethoxyspiro[3.5]nonan-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119335877
N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide
CID 66422291
N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940566
1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide
CID 124590561
N-(3-ethoxyspiro[3.3]heptan-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119334924

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide (CID 119939918) is N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide is CCOC1CC(NC(=O)CC2CSCCN2)C12CCCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is LPUVWQLLPNDGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2S/c1-2-21-15-11-14(17(15)6-4-3-5-7-17)19-16(20)10-13-12-22-9-8-18-13/h13-15,18H,2-12H2,1H3,(H,19,20).
What are the key properties of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide?
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 326.51 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119939918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).