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

C9H15BrN4O2S — CID 106334551

IUPAC2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1ncc(Br)cc1N
InChIInChI=1S/C9H15BrN4O2S/c1-14(2)17(15,16)4-3-12-9-8(11)5-7(10)6-13-9/h5-6H,3-4,11H2,1-2H3,(H,12,13)
InChIKeySDTVTMADGAZBPZ-UHFFFAOYSA-N
MW323.22 g/mol
LogP0.73
Rot. Bonds5

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

2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 106334551) has the molecular formula C9H15BrN4O2S and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
PubChem CID106334551
Molecular FormulaC9H15BrN4O2S
Molecular Weight323.22 g/mol
Exact Mass322.01
IUPAC Name2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1ncc(Br)cc1N
InChIInChI=1S/C9H15BrN4O2S/c1-14(2)17(15,16)4-3-12-9-8(11)5-7(10)6-13-9/h5-6H,3-4,11H2,1-2H3,(H,12,13)
InChIKeySDTVTMADGAZBPZ-UHFFFAOYSA-N
XLogP0.73
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide
CID 106338653
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334310
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334627
N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61228086
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
CID 64926877
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343575
5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 63225930
5-bromo-2-hydrazinylpyridin-3-amine
CID 139593186
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 114176047
2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide
CID 106334547
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide (CID 106334551) is 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNc1ncc(Br)cc1N.
What is the InChIKey of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is SDTVTMADGAZBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O2S/c1-14(2)17(15,16)4-3-12-9-8(11)5-7(10)6-13-9/h5-6H,3-4,11H2,1-2H3,(H,12,13).
What are the key properties of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide?
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 323.22 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106334551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).