2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide

C10H15N3O2S — CID 43299918

IUPAC2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1ccncc1N
InChIInChI=1S/C10H15N3O2S/c1-15-5-4-13-10(14)7-16-9-2-3-12-6-8(9)11/h2-3,6H,4-5,7,11H2,1H3,(H,13,14)
InChIKeyUJHRIAXINLBCNY-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.52
Rot. Bonds6

About 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide

2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 43299918) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID43299918
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1ccncc1N
InChIInChI=1S/C10H15N3O2S/c1-15-5-4-13-10(14)7-16-9-2-3-12-6-8(9)11/h2-3,6H,4-5,7,11H2,1H3,(H,13,14)
InChIKeyUJHRIAXINLBCNY-UHFFFAOYSA-N
XLogP0.52
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide
CID 43300145
methyl 4-[[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]amino]butanoate
CID 43299937
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 43299915
2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 43304176
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 79142889
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43300619
methyl 2-[[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]amino]-4-methylpentanoate
CID 43299696
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43299864
4-amino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 81235993
3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105071103
2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 79147488

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide (CID 43299918) is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSc1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is UJHRIAXINLBCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-15-5-4-13-10(14)7-16-9-2-3-12-6-8(9)11/h2-3,6H,4-5,7,11H2,1H3,(H,13,14).
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide?
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 241.32 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 43299918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).