2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide

C13H23N3O2S — CID 136805738

IUPAC2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide
SMILESCC1CCC2(CC1)CS/C(=N\CCOCC(N)=O)N2
InChIInChI=1S/C13H23N3O2S/c1-10-2-4-13(5-3-10)9-19-12(16-13)15-6-7-18-8-11(14)17/h10H,2-9H2,1H3,(H2,14,17)(H,15,16)
InChIKeyOSXAFMQXGCVGNA-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.13
Rot. Bonds5

About 2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide

2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide (PubChem CID 136805738) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide
PubChem CID136805738
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide
SMILESCC1CCC2(CC1)CS/C(=N\CCOCC(N)=O)N2
InChIInChI=1S/C13H23N3O2S/c1-10-2-4-13(5-3-10)9-19-12(16-13)15-6-7-18-8-11(14)17/h10H,2-9H2,1H3,(H2,14,17)(H,15,16)
InChIKeyOSXAFMQXGCVGNA-UHFFFAOYSA-N
XLogP1.13
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide 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

2-[2-[(4-methyl-1,3-thiazinan-2-ylidene)amino]ethoxy]acetamide
CID 136805740
N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762643
N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine
CID 136896914
4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one
CID 136803572
8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136905813
2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide
CID 136805731
2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide
CID 136829995
N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135977348
N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977299
N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136998917
N-(3-ethoxypropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819488
N-[3-(2-methylpropoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730403

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide (CID 136805738) is 2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide is CC1CCC2(CC1)CS/C(=N\CCOCC(N)=O)N2.
What is the InChIKey of 2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide?
The InChIKey is OSXAFMQXGCVGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10-2-4-13(5-3-10)9-19-12(16-13)15-6-7-18-8-11(14)17/h10H,2-9H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide?
2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide has a molecular weight of 285.41 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide is sourced from PubChem (CID 136805738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).