1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine

C13H13NS — CID 70211493

IUPAC1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(c2csc3ccccc23)CC1
InChIInChI=1S/C13H13NS/c1-4-8-14(9-5-1)12-10-15-13-7-3-2-6-11(12)13/h1-4,6-7,10H,5,8-9H2
InChIKeyAMFUNLJGQHGZDN-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.67
Rot. Bonds1

About 1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine

1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine (PubChem CID 70211493) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine
PubChem CID70211493
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(c2csc3ccccc23)CC1
InChIInChI=1S/C13H13NS/c1-4-8-14(9-5-1)12-10-15-13-7-3-2-6-11(12)13/h1-4,6-7,10H,5,8-9H2
InChIKeyAMFUNLJGQHGZDN-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine (CID 70211493) is 1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine is C1=CCN(c2csc3ccccc23)CC1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is AMFUNLJGQHGZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c1-4-8-14(9-5-1)12-10-15-13-7-3-2-6-11(12)13/h1-4,6-7,10H,5,8-9H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine?
1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 215.32 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 70211493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).