1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one

C11H12N2OS — CID 58826843

IUPAC1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one
SMILESCCCC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C11H12N2OS/c1-2-3-8(14)11-10(12)7-4-5-13-6-9(7)15-11/h4-6H,2-3,12H2,1H3
InChIKeyDREGGGJLJMARJJ-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.86
Rot. Bonds3

About 1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one

1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one (PubChem CID 58826843) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one
PubChem CID58826843
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one
SMILESCCCC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C11H12N2OS/c1-2-3-8(14)11-10(12)7-4-5-13-6-9(7)15-11/h4-6H,2-3,12H2,1H3
InChIKeyDREGGGJLJMARJJ-UHFFFAOYSA-N
XLogP2.86
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide
CID 106331585
3-amino-N-methyl-N-pentan-3-ylthieno[2,3-c]pyridine-2-carboxamide
CID 114289192
3-amino-N',N'-dimethylthieno[2,3-c]pyridine-2-carbohydrazide
CID 83024926
3-amino-N-tert-butylthieno[2,3-c]pyridine-2-carboxamide
CID 113269822
propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 69161368
3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 82947525
3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide
CID 106233064
3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114619385
3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide
CID 113466186
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide
CID 114289239
3-amino-N-[3-(dimethylamino)propyl]-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 114289351
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one?
The IUPAC name of 1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one (CID 58826843) is 1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one.
What is the SMILES notation for 1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one?
The canonical SMILES for 1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one is CCCC(=O)c1sc2cnccc2c1N.
What is the InChIKey of 1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one?
The InChIKey is DREGGGJLJMARJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-3-8(14)11-10(12)7-4-5-13-6-9(7)15-11/h4-6H,2-3,12H2,1H3.
What are the key properties of 1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one?
1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one has a molecular weight of 220.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one is sourced from PubChem (CID 58826843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).