(S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride

C10H10BrClN2S — CID 171203330

IUPAC(S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Br)nc1)c1ccsc1
InChIInChI=1S/C10H9BrN2S.ClH/c11-9-2-1-7(5-13-9)10(12)8-3-4-14-6-8;/h1-6,10H,12H2;1H/t10-;/m0./s1
InChIKeyDGYUPDGRUAGSEP-PPHPATTJSA-N
MW305.63 g/mol
LogP3.38
Rot. Bonds2

About (S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride

(S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171203330) has the molecular formula C10H10BrClN2S and a molecular weight of 305.63 g/mol. Its IUPAC name is (S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171203330
Molecular FormulaC10H10BrClN2S
Molecular Weight305.63 g/mol
Exact Mass303.94
IUPAC Name(S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Br)nc1)c1ccsc1
InChIInChI=1S/C10H9BrN2S.ClH/c11-9-2-1-7(5-13-9)10(12)8-3-4-14-6-8;/h1-6,10H,12H2;1H/t10-;/m0./s1
InChIKeyDGYUPDGRUAGSEP-PPHPATTJSA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.63
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride 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

(S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine
CID 171203449
(R)-(5-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218200
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907
(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171201796
(R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218747
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
(S)-(4-ethylphenyl)-thiophen-3-ylmethanamine
CID 171211233
(S)-(6-bromo-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240762
(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171205925
(S)-(3-bromophenyl)-thiophen-3-ylmethanamine
CID 171199224
(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652
4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol
CID 171200005

Frequently Asked Questions

What is the IUPAC name of (S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171203330) is (S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@@H](c1ccc(Br)nc1)c1ccsc1.
What is the InChIKey of (S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is DGYUPDGRUAGSEP-PPHPATTJSA-N. The full InChI is InChI=1S/C10H9BrN2S.ClH/c11-9-2-1-7(5-13-9)10(12)8-3-4-14-6-8;/h1-6,10H,12H2;1H/t10-;/m0./s1.
What are the key properties of (S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride?
(S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 305.63 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171203330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).