6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine

C13H21NS — CID 153324730

IUPAC6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine
SMILESCCC1C=C2CCN(C(C)(C)C)C=C2S1
InChIInChI=1S/C13H21NS/c1-5-11-8-10-6-7-14(13(2,3)4)9-12(10)15-11/h8-9,11H,5-7H2,1-4H3
InChIKeySCNBWAXXFQKNNU-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.78
Rot. Bonds1

About 6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine

6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine (PubChem CID 153324730) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine
PubChem CID153324730
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine
SMILESCCC1C=C2CCN(C(C)(C)C)C=C2S1
InChIInChI=1S/C13H21NS/c1-5-11-8-10-6-7-14(13(2,3)4)9-12(10)15-11/h8-9,11H,5-7H2,1-4H3
InChIKeySCNBWAXXFQKNNU-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine?
The IUPAC name of 6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine (CID 153324730) is 6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine.
What is the SMILES notation for 6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine?
The canonical SMILES for 6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine is CCC1C=C2CCN(C(C)(C)C)C=C2S1.
What is the InChIKey of 6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine?
The InChIKey is SCNBWAXXFQKNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-5-11-8-10-6-7-14(13(2,3)4)9-12(10)15-11/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine?
6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine has a molecular weight of 223.38 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-ethyl-4,5-dihydro-2H-thieno[2,3-c]pyridine is sourced from PubChem (CID 153324730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).