N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide

C12H21N3O2S — CID 136748271

IUPACN-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide
SMILESCOCCNC(=O)C/N=C1/NC2(CCCC2)CS1
InChIInChI=1S/C12H21N3O2S/c1-17-7-6-13-10(16)8-14-11-15-12(9-18-11)4-2-3-5-12/h2-9H2,1H3,(H,13,16)(H,14,15)
InChIKeyLPDRVWLDKVSXHE-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.75
Rot. Bonds5

About N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide

N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide (PubChem CID 136748271) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide
PubChem CID136748271
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide
SMILESCOCCNC(=O)C/N=C1/NC2(CCCC2)CS1
InChIInChI=1S/C12H21N3O2S/c1-17-7-6-13-10(16)8-14-11-15-12(9-18-11)4-2-3-5-12/h2-9H2,1H3,(H,13,16)(H,14,15)
InChIKeyLPDRVWLDKVSXHE-UHFFFAOYSA-N
XLogP0.75
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.75
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'}

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Related Compounds

2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide
CID 136951342
N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998342
N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136723642
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methoxyethyl)acetamide
CID 113293821
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
2-(1-aminocyclopentyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 64679664
2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(2-methoxyethyl)acetamide
CID 62518640
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide
CID 62522217
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide
CID 64572690
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
2-(1-aminocyclobutyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 79854561

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide (CID 136748271) is N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide is COCCNC(=O)C/N=C1/NC2(CCCC2)CS1.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide?
The InChIKey is LPDRVWLDKVSXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-17-7-6-13-10(16)8-14-11-15-12(9-18-11)4-2-3-5-12/h2-9H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide?
N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide has a molecular weight of 271.39 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide is sourced from PubChem (CID 136748271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).