3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one

C14H20N2OS — CID 46214411

IUPAC3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCc2ccsc2C1)N1CCCC1
InChIInChI=1S/C14H20N2OS/c17-14(16-6-1-2-7-16)4-9-15-8-3-12-5-10-18-13(12)11-15/h5,10H,1-4,6-9,11H2
InChIKeyJNXVTOXICDGIIC-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.12
Rot. Bonds3

About 3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one

3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 46214411) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID46214411
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCc2ccsc2C1)N1CCCC1
InChIInChI=1S/C14H20N2OS/c17-14(16-6-1-2-7-16)4-9-15-8-3-12-5-10-18-13(12)11-15/h5,10H,1-4,6-9,11H2
InChIKeyJNXVTOXICDGIIC-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 46214411) is 3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCN1CCc2ccsc2C1)N1CCCC1.
What is the InChIKey of 3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is JNXVTOXICDGIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c17-14(16-6-1-2-7-16)4-9-15-8-3-12-5-10-18-13(12)11-15/h5,10H,1-4,6-9,11H2.
What are the key properties of 3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 264.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 46214411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).