5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine

C8H13NS — CID 89333162

IUPAC5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine
SMILESCN1CCC2=C(CCS2)C1
InChIInChI=1S/C8H13NS/c1-9-4-2-8-7(6-9)3-5-10-8/h2-6H2,1H3
InChIKeyJCDZAHGVXUNXID-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.71
Rot. Bonds

About 5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine

5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine (PubChem CID 89333162) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine
PubChem CID89333162
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine
SMILESCN1CCC2=C(CCS2)C1
InChIInChI=1S/C8H13NS/c1-9-4-2-8-7(6-9)3-5-10-8/h2-6H2,1H3
InChIKeyJCDZAHGVXUNXID-UHFFFAOYSA-N
XLogP1.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine?
The IUPAC name of 5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine (CID 89333162) is 5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine is CN1CCC2=C(CCS2)C1.
What is the InChIKey of 5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine?
The InChIKey is JCDZAHGVXUNXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-9-4-2-8-7(6-9)3-5-10-8/h2-6H2,1H3.
What are the key properties of 5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine?
5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine has a molecular weight of 155.27 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine is sourced from PubChem (CID 89333162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).