5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine

C9H14BrN3OS — CID 103518506

IUPAC5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine
SMILESCCS(=O)CCNc1c(N)cncc1Br
InChIInChI=1S/C9H14BrN3OS/c1-2-15(14)4-3-13-9-7(10)5-12-6-8(9)11/h5-6H,2-4,11H2,1H3,(H,12,13)
InChIKeyBANKDYPENGSUJE-UHFFFAOYSA-N
MW292.20 g/mol
LogP1.61
Rot. Bonds5

About 5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine

5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine (PubChem CID 103518506) has the molecular formula C9H14BrN3OS and a molecular weight of 292.20 g/mol. Its IUPAC name is 5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine
PubChem CID103518506
Molecular FormulaC9H14BrN3OS
Molecular Weight292.20 g/mol
Exact Mass291.00
IUPAC Name5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine
SMILESCCS(=O)CCNc1c(N)cncc1Br
InChIInChI=1S/C9H14BrN3OS/c1-2-15(14)4-3-13-9-7(10)5-12-6-8(9)11/h5-6H,2-4,11H2,1H3,(H,12,13)
InChIKeyBANKDYPENGSUJE-UHFFFAOYSA-N
XLogP1.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromopyridine-3,4-diamine
CID 78369
Piperidine, 1-(2-((3-amino-5-bromo-4-pyridyl)amino)ethyl)-
CID 199346
5-bromo-N4-ethylpyridine-3,4-diamine
CID 24903729
5-bromo-N4-methylpyridine-3,4-diamine
CID 24903740
6-bromo-N3-methylpyridine-3,4-diamine
CID 87483726
5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine
CID 71996178
N-[3-[(5-bromo-3-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide
CID 71871225
N-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide
CID 71996464
5-bromo-4-N-(2,2,2-trifluoroethyl)pyridine-3,4-diamine
CID 103517557
N-(5-bromo-2-fluoro-3-pyridinyl)ethanesulfonamide
CID 132260760
6-bromo-4-[3-ethylsulfanyl-5-(trifluoromethyl)-2H-pyridin-1-yl]-N-methylpyridin-3-amine
CID 141498761
5-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-3-amine
CID 102809306

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine (CID 103518506) is 5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine is CCS(=O)CCNc1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine?
The InChIKey is BANKDYPENGSUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3OS/c1-2-15(14)4-3-13-9-7(10)5-12-6-8(9)11/h5-6H,2-4,11H2,1H3,(H,12,13).
What are the key properties of 5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine?
5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine has a molecular weight of 292.20 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine is sourced from PubChem (CID 103518506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).