3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine

C14H15NS — CID 139840572

IUPAC3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine
SMILESc1cncc(CC2CCc3ccsc3C2)c1
InChIInChI=1S/C14H15NS/c1-2-12(10-15-6-1)8-11-3-4-13-5-7-16-14(13)9-11/h1-2,5-7,10-11H,3-4,8-9H2
InChIKeyUMMYCSYXHLEUCF-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.49
Rot. Bonds2

About 3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine

3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine (PubChem CID 139840572) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine
PubChem CID139840572
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine
SMILESc1cncc(CC2CCc3ccsc3C2)c1
InChIInChI=1S/C14H15NS/c1-2-12(10-15-6-1)8-11-3-4-13-5-7-16-14(13)9-11/h1-2,5-7,10-11H,3-4,8-9H2
InChIKeyUMMYCSYXHLEUCF-UHFFFAOYSA-N
XLogP3.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine?
The IUPAC name of 3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine (CID 139840572) is 3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine is c1cncc(CC2CCc3ccsc3C2)c1.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine?
The InChIKey is UMMYCSYXHLEUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-12(10-15-6-1)8-11-3-4-13-5-7-16-14(13)9-11/h1-2,5-7,10-11H,3-4,8-9H2.
What are the key properties of 3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine?
3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine has a molecular weight of 229.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)pyridine is sourced from PubChem (CID 139840572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).