5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine

C11H17BrN2S — CID 115744781

IUPAC5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine
SMILESCCSCCC(C)Nc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2S/c1-3-15-5-4-9(2)14-11-6-10(12)7-13-8-11/h6-9,14H,3-5H2,1-2H3
InChIKeyUUOFXQBPPAAIQS-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.79
Rot. Bonds6

About 5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine

5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine (PubChem CID 115744781) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine
PubChem CID115744781
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine
SMILESCCSCCC(C)Nc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2S/c1-3-15-5-4-9(2)14-11-6-10(12)7-13-8-11/h6-9,14H,3-5H2,1-2H3
InChIKeyUUOFXQBPPAAIQS-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-hex-5-en-2-ylpyridin-3-amine
CID 104583994
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 115657686
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine
CID 103518535
5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine
CID 113243712
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine
CID 115657159
5-bromo-4-(4-ethylsulfanylbutan-2-ylamino)-1H-pyridazin-6-one
CID 114386315
5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine
CID 112695253
5-N-pentan-2-ylpyridine-3,5-diamine
CID 104532600
3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 130486029
(2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid
CID 122063013
5-methyl-N-octan-2-ylpyridin-3-amine
CID 107584780

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine (CID 115744781) is 5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine is CCSCCC(C)Nc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine?
The InChIKey is UUOFXQBPPAAIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-3-15-5-4-9(2)14-11-6-10(12)7-13-8-11/h6-9,14H,3-5H2,1-2H3.
What are the key properties of 5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine?
5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine has a molecular weight of 289.24 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine is sourced from PubChem (CID 115744781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).