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

C9H13NOS2 — CID 131043045

IUPAC5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCS(=O)N1CCc2sccc2C1
InChIInChI=1S/C9H13NOS2/c1-2-13(11)10-5-3-9-8(7-10)4-6-12-9/h4,6H,2-3,5,7H2,1H3
InChIKeyYNVUBWRDEOGHCQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.79
Rot. Bonds2

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

5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 131043045) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID131043045
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCS(=O)N1CCc2sccc2C1
InChIInChI=1S/C9H13NOS2/c1-2-13(11)10-5-3-9-8(7-10)4-6-12-9/h4,6H,2-3,5,7H2,1H3
InChIKeyYNVUBWRDEOGHCQ-UHFFFAOYSA-N
XLogP1.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine
CID 62439646
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbutan-1-one
CID 79809401
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine
CID 62439639
5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 55903519
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylbutan-1-amine
CID 79413918
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 43101067
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylbutanoic acid
CID 82236381
5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63666976
N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
CID 35321093
5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 72945001
4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
CID 61261654

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 131043045) is 5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CCS(=O)N1CCc2sccc2C1.
What is the InChIKey of 5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is YNVUBWRDEOGHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-2-13(11)10-5-3-9-8(7-10)4-6-12-9/h4,6H,2-3,5,7H2,1H3.
What are the key properties of 5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 215.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 131043045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).