(1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine

C13H13BrN2S — CID 78992842

IUPAC(1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1Sc1ccc(Br)cn1
InChIInChI=1S/C13H13BrN2S/c1-9(15)11-4-2-3-5-12(11)17-13-7-6-10(14)8-16-13/h2-9H,15H2,1H3/t9-/m1/s1
InChIKeyMFLNQSNQXDLZSQ-SECBINFHSA-N
MW309.23 g/mol
LogP4.01
Rot. Bonds3

About (1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine

(1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine (PubChem CID 78992842) has the molecular formula C13H13BrN2S and a molecular weight of 309.23 g/mol. Its IUPAC name is (1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine
PubChem CID78992842
Molecular FormulaC13H13BrN2S
Molecular Weight309.23 g/mol
Exact Mass308.00
IUPAC Name(1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1Sc1ccc(Br)cn1
InChIInChI=1S/C13H13BrN2S/c1-9(15)11-4-2-3-5-12(11)17-13-7-6-10(14)8-16-13/h2-9H,15H2,1H3/t9-/m1/s1
InChIKeyMFLNQSNQXDLZSQ-SECBINFHSA-N
XLogP4.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine 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

(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943753
(1S)-1-[4-[(5-bromo-2-pyridinyl)sulfanyl]-3-fluorophenyl]ethanamine
CID 78992828
1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 80643952
(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
CID 78938611
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine
CID 64630643
(1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 78938929
4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine
CID 62112804
S-(5-bromo-2-pyridinyl)thiohydroxylamine
CID 177140372
(1R)-1-[2-[(5-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]ethanamine
CID 114056875
5-bromo-2-(4-methylphenyl)sulfanylpyridine
CID 55219804
2-[(5-bromo-2-pyridinyl)sulfanyl]-3-methylaniline
CID 115551300
1-[4-bromo-2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanone
CID 82972470

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine (CID 78992842) is (1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine is C[C@@H](N)c1ccccc1Sc1ccc(Br)cn1.
What is the InChIKey of (1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine?
The InChIKey is MFLNQSNQXDLZSQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H13BrN2S/c1-9(15)11-4-2-3-5-12(11)17-13-7-6-10(14)8-16-13/h2-9H,15H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine?
(1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine has a molecular weight of 309.23 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine is sourced from PubChem (CID 78992842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).