4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide

C10H12N2O3S — CID 68521900

IUPAC4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide
SMILESCS(=O)(=O)c1cc(C=CCC(N)=O)ccn1
InChIInChI=1S/C10H12N2O3S/c1-16(14,15)10-7-8(5-6-12-10)3-2-4-9(11)13/h2-3,5-7H,4H2,1H3,(H2,11,13)
InChIKeySGTHYDXRDWSULP-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.37
Rot. Bonds4

About 4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide

4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide (PubChem CID 68521900) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide.

Molecular Properties

Compound Name4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide
PubChem CID68521900
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide
SMILESCS(=O)(=O)c1cc(C=CCC(N)=O)ccn1
InChIInChI=1S/C10H12N2O3S/c1-16(14,15)10-7-8(5-6-12-10)3-2-4-9(11)13/h2-3,5-7H,4H2,1H3,(H2,11,13)
InChIKeySGTHYDXRDWSULP-UHFFFAOYSA-N
XLogP0.37
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide?
The IUPAC name of 4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide (CID 68521900) is 4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide.
What is the SMILES notation for 4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide?
The canonical SMILES for 4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide is CS(=O)(=O)c1cc(C=CCC(N)=O)ccn1.
What is the InChIKey of 4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide?
The InChIKey is SGTHYDXRDWSULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-16(14,15)10-7-8(5-6-12-10)3-2-4-9(11)13/h2-3,5-7H,4H2,1H3,(H2,11,13).
What are the key properties of 4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide?
4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide has a molecular weight of 240.28 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonyl-4-pyridinyl)but-3-enamide is sourced from PubChem (CID 68521900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).