6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone

C13H17NO2S — CID 52556397

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCc2sccc2C1
InChIInChI=1S/C13H17NO2S/c15-13(10-2-6-16-7-3-10)14-5-1-12-11(9-14)4-8-17-12/h4,8,10H,1-3,5-7,9H2
InChIKeyFGXOAUAVDMSJEP-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.06
Rot. Bonds1

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone (PubChem CID 52556397) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone
PubChem CID52556397
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCc2sccc2C1
InChIInChI=1S/C13H17NO2S/c15-13(10-2-6-16-7-3-10)14-5-1-12-11(9-14)4-8-17-12/h4,8,10H,1-3,5-7,9H2
InChIKeyFGXOAUAVDMSJEP-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone (CID 52556397) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCc2sccc2C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone?
The InChIKey is FGXOAUAVDMSJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c15-13(10-2-6-16-7-3-10)14-5-1-12-11(9-14)4-8-17-12/h4,8,10H,1-3,5-7,9H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone has a molecular weight of 251.35 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxan-4-yl)methanone is sourced from PubChem (CID 52556397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).