3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide

C11H16N2O3S — CID 130219783

IUPAC3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C11H16N2O3S/c1-8(2)6-11(14)13-10-5-4-9(7-12-10)17(3,15)16/h4-5,7-8H,6H2,1-3H3,(H,12,13,14)
InChIKeyCRKNDIPHHGRDKA-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.47
Rot. Bonds4

About 3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide

3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide (PubChem CID 130219783) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide
PubChem CID130219783
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C11H16N2O3S/c1-8(2)6-11(14)13-10-5-4-9(7-12-10)17(3,15)16/h4-5,7-8H,6H2,1-3H3,(H,12,13,14)
InChIKeyCRKNDIPHHGRDKA-UHFFFAOYSA-N
XLogP1.47
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide 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 3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide?
The IUPAC name of 3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide (CID 130219783) is 3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide.
What is the SMILES notation for 3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide?
The canonical SMILES for 3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide is CC(C)CC(=O)Nc1ccc(S(C)(=O)=O)cn1.
What is the InChIKey of 3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide?
The InChIKey is CRKNDIPHHGRDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8(2)6-11(14)13-10-5-4-9(7-12-10)17(3,15)16/h4-5,7-8H,6H2,1-3H3,(H,12,13,14).
What are the key properties of 3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide?
3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide has a molecular weight of 256.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methylsulfonyl-2-pyridinyl)butanamide is sourced from PubChem (CID 130219783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).