2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide

C11H17N3O2S — CID 114231429

IUPAC2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide
SMILESCOCCNCc1ccc(SCC(N)=O)nc1
InChIInChI=1S/C11H17N3O2S/c1-16-5-4-13-6-9-2-3-11(14-7-9)17-8-10(12)15/h2-3,7,13H,4-6,8H2,1H3,(H2,12,15)
InChIKeyLQIQKPYWDAABNZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.40
Rot. Bonds8

About 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide

2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide (PubChem CID 114231429) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide
PubChem CID114231429
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide
SMILESCOCCNCc1ccc(SCC(N)=O)nc1
InChIInChI=1S/C11H17N3O2S/c1-16-5-4-13-6-9-2-3-11(14-7-9)17-8-10(12)15/h2-3,7,13H,4-6,8H2,1H3,(H2,12,15)
InChIKeyLQIQKPYWDAABNZ-UHFFFAOYSA-N
XLogP0.40
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]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

3-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
CID 80650754
N-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80651024
2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80639378
N-[[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80650841
2-methoxy-N-[(6-pyrimidin-4-ylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80651407
2-methoxy-N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80628728
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 80631598
2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
CID 80651411
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80650909
N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 106926746
N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 102926136
2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide
CID 114231448

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide (CID 114231429) is 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide is COCCNCc1ccc(SCC(N)=O)nc1.
What is the InChIKey of 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is LQIQKPYWDAABNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-16-5-4-13-6-9-2-3-11(14-7-9)17-8-10(12)15/h2-3,7,13H,4-6,8H2,1H3,(H2,12,15).
What are the key properties of 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide?
2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 255.34 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 114231429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).