N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide

C11H15BrN2O3S — CID 79048196

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-7-8(12)5-6-9(13-7)14-10(15)11(2,3)18(4,16)17/h5-6H,1-4H3,(H,13,14,15)
InChIKeyKGGFOXMAAQHNSH-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.91
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide

N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 79048196) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID79048196
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-7-8(12)5-6-9(13-7)14-10(15)11(2,3)18(4,16)17/h5-6H,1-4H3,(H,13,14,15)
InChIKeyKGGFOXMAAQHNSH-UHFFFAOYSA-N
XLogP1.91
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
CID 69165507
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide
CID 79814305
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
CID 112555732
2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424
N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79048808
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide
CID 79018492
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide
CID 79041374
N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide
CID 119050352
N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808
propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate
CID 79048971
3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061079

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide (CID 79048196) is N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide is Cc1nc(NC(=O)C(C)(C)S(C)(=O)=O)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is KGGFOXMAAQHNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-7-8(12)5-6-9(13-7)14-10(15)11(2,3)18(4,16)17/h5-6H,1-4H3,(H,13,14,15).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 335.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 79048196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).