2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide

C11H16N2OS — CID 13154254

IUPAC2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide
SMILESCSc1ccncc1NC(=O)C(C)(C)C
InChIInChI=1S/C11H16N2OS/c1-11(2,3)10(14)13-8-7-12-6-5-9(8)15-4/h5-7H,1-4H3,(H,13,14)
InChIKeyXPTXLJRWZSPZNG-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.79
Rot. Bonds2

About 2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide

2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide (PubChem CID 13154254) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide
PubChem CID13154254
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide
SMILESCSc1ccncc1NC(=O)C(C)(C)C
InChIInChI=1S/C11H16N2OS/c1-11(2,3)10(14)13-8-7-12-6-5-9(8)15-4/h5-7H,1-4H3,(H,13,14)
InChIKeyXPTXLJRWZSPZNG-UHFFFAOYSA-N
XLogP2.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide (CID 13154254) is 2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide is CSc1ccncc1NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide?
The InChIKey is XPTXLJRWZSPZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-11(2,3)10(14)13-8-7-12-6-5-9(8)15-4/h5-7H,1-4H3,(H,13,14).
What are the key properties of 2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide?
2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide has a molecular weight of 224.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methylsulfanyl-3-pyridinyl)propanamide is sourced from PubChem (CID 13154254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).