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

C11H16N2OS — CID 24690104

IUPAC4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one
SMILESNCCCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C11H16N2OS/c12-5-1-2-11(14)13-6-3-10-9(8-13)4-7-15-10/h4,7H,1-3,5-6,8,12H2
InChIKeyJIFAVPPPKXRAMF-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.37
Rot. Bonds3

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

4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one (PubChem CID 24690104) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one
PubChem CID24690104
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one
SMILESNCCCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C11H16N2OS/c12-5-1-2-11(14)13-6-3-10-9(8-13)4-7-15-10/h4,7H,1-3,5-6,8,12H2
InChIKeyJIFAVPPPKXRAMF-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one?
The IUPAC name of 4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one (CID 24690104) is 4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one is NCCCC(=O)N1CCc2sccc2C1.
What is the InChIKey of 4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one?
The InChIKey is JIFAVPPPKXRAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-5-1-2-11(14)13-6-3-10-9(8-13)4-7-15-10/h4,7H,1-3,5-6,8,12H2.
What are the key properties of 4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one?
4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one has a molecular weight of 224.33 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one is sourced from PubChem (CID 24690104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).