5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine

C10H13BrN2S — CID 103702794

IUPAC5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine
SMILESC=CCSCCNc1cncc(Br)c1
InChIInChI=1S/C10H13BrN2S/c1-2-4-14-5-3-13-10-6-9(11)7-12-8-10/h2,6-8,13H,1,3-5H2
InChIKeyMRSSYRDZJOLKJA-UHFFFAOYSA-N
MW273.20 g/mol
LogP3.18
Rot. Bonds6

About 5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine

5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine (PubChem CID 103702794) has the molecular formula C10H13BrN2S and a molecular weight of 273.20 g/mol. Its IUPAC name is 5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine
PubChem CID103702794
Molecular FormulaC10H13BrN2S
Molecular Weight273.20 g/mol
Exact Mass272.00
IUPAC Name5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine
SMILESC=CCSCCNc1cncc(Br)c1
InChIInChI=1S/C10H13BrN2S/c1-2-4-14-5-3-13-10-6-9(11)7-12-8-10/h2,6-8,13H,1,3-5H2
InChIKeyMRSSYRDZJOLKJA-UHFFFAOYSA-N
XLogP3.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
2-bromo-4-(2-prop-2-enylsulfanylethylamino)benzoic acid
CID 106433213
5-[(5-bromo-3-pyridinyl)amino]pentan-1-ol
CID 107302585
5-bromo-N-hexylpyridin-3-amine
CID 115656852
5-bromo-2-chloro-N-(2-prop-2-enylsulfanylethyl)pyrimidin-4-amine
CID 106431867
5-bromo-N-pent-4-ynylpyridin-3-amine
CID 103704408
5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine
CID 106430263
3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide
CID 104531690
5-bromo-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 104531470
4-(2-prop-2-enylsulfanylethylamino)benzoic acid
CID 106429317
N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine
CID 114194215
5-bromo-N-hex-5-en-2-ylpyridin-3-amine
CID 104583994

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine (CID 103702794) is 5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine is C=CCSCCNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine?
The InChIKey is MRSSYRDZJOLKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2S/c1-2-4-14-5-3-13-10-6-9(11)7-12-8-10/h2,6-8,13H,1,3-5H2.
What are the key properties of 5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine?
5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine has a molecular weight of 273.20 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine is sourced from PubChem (CID 103702794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).