(S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride

C11H13ClN2S — CID 171230296

IUPAC(S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCc1cccc([C@@H](N)c2ccsc2)n1.Cl
InChIInChI=1S/C11H12N2S.ClH/c1-8-3-2-4-10(13-8)11(12)9-5-6-14-7-9;/h2-7,11H,12H2,1H3;1H/t11-;/m0./s1
InChIKeyVJDULKGLZHPVSQ-MERQFXBCSA-N
MW240.76 g/mol
LogP2.92
Rot. Bonds2

About (S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride

(S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171230296) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is (S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171230296
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name(S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCc1cccc([C@@H](N)c2ccsc2)n1.Cl
InChIInChI=1S/C11H12N2S.ClH/c1-8-3-2-4-10(13-8)11(12)9-5-6-14-7-9;/h2-7,11H,12H2,1H3;1H/t11-;/m0./s1
InChIKeyVJDULKGLZHPVSQ-MERQFXBCSA-N
XLogP2.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171230296) is (S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride is Cc1cccc([C@@H](N)c2ccsc2)n1.Cl.
What is the InChIKey of (S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is VJDULKGLZHPVSQ-MERQFXBCSA-N. The full InChI is InChI=1S/C11H12N2S.ClH/c1-8-3-2-4-10(13-8)11(12)9-5-6-14-7-9;/h2-7,11H,12H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride?
(S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 240.76 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(6-methyl-2-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171230296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).