N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide

C11H15BrN2OS — CID 75494689

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C11H15BrN2OS/c1-7-4-10(13-5-9(7)12)14-11(15)8(2)6-16-3/h4-5,8H,6H2,1-3H3,(H,13,14,15)
InChIKeyFDXRUKXLOMAMRN-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.09
Rot. Bonds4

About N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide (PubChem CID 75494689) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide
PubChem CID75494689
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C11H15BrN2OS/c1-7-4-10(13-5-9(7)12)14-11(15)8(2)6-16-3/h4-5,8H,6H2,1-3H3,(H,13,14,15)
InChIKeyFDXRUKXLOMAMRN-UHFFFAOYSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide (CID 75494689) is N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide is CSCC(C)C(=O)Nc1cc(C)c(Br)cn1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is FDXRUKXLOMAMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-7-4-10(13-5-9(7)12)14-11(15)8(2)6-16-3/h4-5,8H,6H2,1-3H3,(H,13,14,15).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 303.23 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 75494689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).