7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine

C11H17NS — CID 165470562

IUPAC7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine
SMILESCCC1(CC)NCCc2ccsc21
InChIInChI=1S/C11H17NS/c1-3-11(4-2)10-9(5-7-12-11)6-8-13-10/h6,8,12H,3-5,7H2,1-2H3
InChIKeyVSLZQQAJQIYZOP-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.91
Rot. Bonds2

About 7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine

7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 165470562) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID165470562
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine
SMILESCCC1(CC)NCCc2ccsc21
InChIInChI=1S/C11H17NS/c1-3-11(4-2)10-9(5-7-12-11)6-8-13-10/h6,8,12H,3-5,7H2,1-2H3
InChIKeyVSLZQQAJQIYZOP-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine (CID 165470562) is 7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine is CCC1(CC)NCCc2ccsc21.
What is the InChIKey of 7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is VSLZQQAJQIYZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-3-11(4-2)10-9(5-7-12-11)6-8-13-10/h6,8,12H,3-5,7H2,1-2H3.
What are the key properties of 7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine?
7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 195.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 165470562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).