2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide

C10H17BrN4O2S — CID 106334627

IUPAC2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
SMILESCc1c(N)cnc(NCCS(=O)(=O)N(C)C)c1Br
InChIInChI=1S/C10H17BrN4O2S/c1-7-8(12)6-14-10(9(7)11)13-4-5-18(16,17)15(2)3/h6H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyOQJUBBZHYVAPPK-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.04
Rot. Bonds5

About 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide

2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 106334627) has the molecular formula C10H17BrN4O2S and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
PubChem CID106334627
Molecular FormulaC10H17BrN4O2S
Molecular Weight337.24 g/mol
Exact Mass336.03
IUPAC Name2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
SMILESCc1c(N)cnc(NCCS(=O)(=O)N(C)C)c1Br
InChIInChI=1S/C10H17BrN4O2S/c1-7-8(12)6-14-10(9(7)11)13-4-5-18(16,17)15(2)3/h6H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyOQJUBBZHYVAPPK-UHFFFAOYSA-N
XLogP1.04
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334551
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
CID 104506470
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343575
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide
CID 106338653
3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 104506284
3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine
CID 113420539
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 114176047
3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine
CID 104507040
3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine
CID 113420486

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide (CID 106334627) is 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide is Cc1c(N)cnc(NCCS(=O)(=O)N(C)C)c1Br.
What is the InChIKey of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is OQJUBBZHYVAPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O2S/c1-7-8(12)6-14-10(9(7)11)13-4-5-18(16,17)15(2)3/h6H,4-5,12H2,1-3H3,(H,13,14).
What are the key properties of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide?
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106334627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).