2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide

C10H13N3OS — CID 43300833

IUPAC2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1ncccc1N
InChIInChI=1S/C10H13N3OS/c1-2-5-12-9(14)7-15-10-8(11)4-3-6-13-10/h2-4,6H,1,5,7,11H2,(H,12,14)
InChIKeyRDBPYQHNAPNYFP-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.06
Rot. Bonds5

About 2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide

2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide (PubChem CID 43300833) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide
PubChem CID43300833
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1ncccc1N
InChIInChI=1S/C10H13N3OS/c1-2-5-12-9(14)7-15-10-8(11)4-3-6-13-10/h2-4,6H,1,5,7,11H2,(H,12,14)
InChIKeyRDBPYQHNAPNYFP-UHFFFAOYSA-N
XLogP1.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 43300867
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43300619
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide
CID 43300815
2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 43300568
2-(2-amino-4-methylphenyl)sulfanyl-N-prop-2-enylacetamide
CID 43302751
2-[(3-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-methylacetamide
CID 43309761
hydrazinyl 3-[(3-amino-2-pyridinyl)sulfanyl]propanoate
CID 66338434
2-[(3-amino-2-pyridinyl)sulfanyl]-1-(azepan-1-yl)ethanone
CID 43300790
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2079481
N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2632326
2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide
CID 104590202

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide (CID 43300833) is 2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide is C=CCNC(=O)CSc1ncccc1N.
What is the InChIKey of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide?
The InChIKey is RDBPYQHNAPNYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-2-5-12-9(14)7-15-10-8(11)4-3-6-13-10/h2-4,6H,1,5,7,11H2,(H,12,14).
What are the key properties of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide?
2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide has a molecular weight of 223.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 43300833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).