2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide

C13H17N3OS — CID 43301312

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1ccc(N)cn1
InChIInChI=1S/C13H17N3OS/c1-3-7-16(8-4-2)13(17)10-18-12-6-5-11(14)9-15-12/h3-6,9H,1-2,7-8,10,14H2
InChIKeyIKYQHBNURKLJHP-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.96
Rot. Bonds7

About 2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide

2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 43301312) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID43301312
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1ccc(N)cn1
InChIInChI=1S/C13H17N3OS/c1-3-7-16(8-4-2)13(17)10-18-12-6-5-11(14)9-15-12/h3-6,9H,1-2,7-8,10,14H2
InChIKeyIKYQHBNURKLJHP-UHFFFAOYSA-N
XLogP1.96
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide (CID 43301312) is 2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CSc1ccc(N)cn1.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is IKYQHBNURKLJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-7-16(8-4-2)13(17)10-18-12-6-5-11(14)9-15-12/h3-6,9H,1-2,7-8,10,14H2.
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 263.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 43301312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).