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

C9H13NS — CID 58117497

IUPAC4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine
SMILESCC1(C)CNCc2sccc21
InChIInChI=1S/C9H13NS/c1-9(2)6-10-5-8-7(9)3-4-11-8/h3-4,10H,5-6H2,1-2H3
InChIKeyJVVUWRPXMLGDKY-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.13
Rot. Bonds

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

4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine (PubChem CID 58117497) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine
PubChem CID58117497
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine
SMILESCC1(C)CNCc2sccc21
InChIInChI=1S/C9H13NS/c1-9(2)6-10-5-8-7(9)3-4-11-8/h3-4,10H,5-6H2,1-2H3
InChIKeyJVVUWRPXMLGDKY-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine?
The IUPAC name of 4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine (CID 58117497) is 4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine.
What is the SMILES notation for 4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine?
The canonical SMILES for 4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine is CC1(C)CNCc2sccc21.
What is the InChIKey of 4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine?
The InChIKey is JVVUWRPXMLGDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-9(2)6-10-5-8-7(9)3-4-11-8/h3-4,10H,5-6H2,1-2H3.
What are the key properties of 4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine?
4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine has a molecular weight of 167.28 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine is sourced from PubChem (CID 58117497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).