4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane

C15H19NS — CID 142054428

IUPAC4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane
SMILESC1=C(c2ccc3ccsc3c2)CCNC1.CC
InChIInChI=1S/C13H13NS.C2H6/c1-2-12(10-3-6-14-7-4-10)9-13-11(1)5-8-15-13;1-2/h1-3,5,8-9,14H,4,6-7H2;1-2H3
InChIKeyNOULMHLNDHLMKY-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.30
Rot. Bonds1

About 4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane

4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane (PubChem CID 142054428) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane.

Molecular Properties

Compound Name4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane
PubChem CID142054428
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane
SMILESC1=C(c2ccc3ccsc3c2)CCNC1.CC
InChIInChI=1S/C13H13NS.C2H6/c1-2-12(10-3-6-14-7-4-10)9-13-11(1)5-8-15-13;1-2/h1-3,5,8-9,14H,4,6-7H2;1-2H3
InChIKeyNOULMHLNDHLMKY-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane?
The IUPAC name of 4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane (CID 142054428) is 4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane.
What is the SMILES notation for 4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane?
The canonical SMILES for 4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane is C1=C(c2ccc3ccsc3c2)CCNC1.CC.
What is the InChIKey of 4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane?
The InChIKey is NOULMHLNDHLMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS.C2H6/c1-2-12(10-3-6-14-7-4-10)9-13-11(1)5-8-15-13;1-2/h1-3,5,8-9,14H,4,6-7H2;1-2H3.
What are the key properties of 4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane?
4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane has a molecular weight of 245.39 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-6-yl)-1,2,3,6-tetrahydropyridine;ethane is sourced from PubChem (CID 142054428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).