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

C11H17ClN2OS — CID 119030925

IUPAC4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C11H16N2OS.ClH/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;1H
InChIKeyQREXKLOGLXFEPE-UHFFFAOYSA-N
MW260.79 g/mol
LogP1.79
Rot. Bonds3

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

4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one;hydrochloride (PubChem CID 119030925) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one;hydrochloride
PubChem CID119030925
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C11H16N2OS.ClH/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;1H
InChIKeyQREXKLOGLXFEPE-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N~1~,N~1~-dimethyl-N~4~-(thien-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 3239396
N-(1-benzylpiperidin-4-yl)-2-(thiophen-2-yl)acetamide
CID 2712605
N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079
Piperidine-1,4-dicarboxylic acid 1-benzylamide 4-[(thiophen-2-ylmethyl)-amide]
CID 3222750
N-(1-Benzyl-piperidin-4-yl)-2-thiophen-3-yl-acetamide
CID 10925078
1-(2-Thienylcarbonothioyl)-4-piperidinecarboxamide
CID 963966
N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 9551603
3-phenyl-N-((1-(thiophen-3-ylmethyl)piperidin-4-yl)methyl)propanamide
CID 49669353
4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxamide
CID 16784441
4-Oxo-4,5,6,7-tetrahydrothieno-(3,2-C)pyridine
CID 20346858
2-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)ethan-1-amine
CID 24709583
4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl chloride
CID 79887429

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;hydrochloride?
The IUPAC name of 4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one;hydrochloride (CID 119030925) is 4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one;hydrochloride is Cl.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;hydrochloride?
The InChIKey is QREXKLOGLXFEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/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;1H.
What are the key properties of 4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one;hydrochloride?
4-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 1.79, 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;hydrochloride is sourced from PubChem (CID 119030925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).