2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide

C9H11N3O3S — CID 89171115

IUPAC2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C9H11N3O3S/c1-6(2)9(13)12-7-3-4-8(11-5-7)16(10,14)15/h3-5H,1H2,2H3,(H,12,13)(H2,10,14,15)
InChIKeyAYDDGFMHBJEBBI-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.24
Rot. Bonds3

About 2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide

2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide (PubChem CID 89171115) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide
PubChem CID89171115
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C9H11N3O3S/c1-6(2)9(13)12-7-3-4-8(11-5-7)16(10,14)15/h3-5H,1H2,2H3,(H,12,13)(H2,10,14,15)
InChIKeyAYDDGFMHBJEBBI-UHFFFAOYSA-N
XLogP0.24
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide (CID 89171115) is 2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide is C=C(C)C(=O)Nc1ccc(S(N)(=O)=O)nc1.
What is the InChIKey of 2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide?
The InChIKey is AYDDGFMHBJEBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-6(2)9(13)12-7-3-4-8(11-5-7)16(10,14)15/h3-5H,1H2,2H3,(H,12,13)(H2,10,14,15).
What are the key properties of 2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide?
2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide has a molecular weight of 241.27 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-sulfamoyl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 89171115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).