(3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone

C16H21N3OS — CID 104692785

IUPAC(3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)c1sc2cnccc2c1N
InChIInChI=1S/C16H21N3OS/c1-2-11-6-4-3-5-9-19(11)16(20)15-14(17)12-7-8-18-10-13(12)21-15/h7-8,10-11H,2-6,9,17H2,1H3
InChIKeyHWJPXUUBZCLYEG-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.67
Rot. Bonds2

About (3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone

(3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone (PubChem CID 104692785) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone
PubChem CID104692785
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)c1sc2cnccc2c1N
InChIInChI=1S/C16H21N3OS/c1-2-11-6-4-3-5-9-19(11)16(20)15-14(17)12-7-8-18-10-13(12)21-15/h7-8,10-11H,2-6,9,17H2,1H3
InChIKeyHWJPXUUBZCLYEG-UHFFFAOYSA-N
XLogP3.67
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 114289208
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminothieno[2,3-c]pyridin-2-yl)methanone
CID 82752576
(2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105071156
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901
(3-amino-5-bromo-1-benzothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 114896462
(3-aminothieno[2,3-c]pyridin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 114289114
(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 104691766
(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105067784
1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one
CID 58826843
(3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 114289131
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 116669483

Frequently Asked Questions

What is the IUPAC name of (3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone?
The IUPAC name of (3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone (CID 104692785) is (3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone.
What is the SMILES notation for (3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone?
The canonical SMILES for (3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone is CCC1CCCCCN1C(=O)c1sc2cnccc2c1N.
What is the InChIKey of (3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone?
The InChIKey is HWJPXUUBZCLYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-11-6-4-3-5-9-19(11)16(20)15-14(17)12-7-8-18-10-13(12)21-15/h7-8,10-11H,2-6,9,17H2,1H3.
What are the key properties of (3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone?
(3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone has a molecular weight of 303.43 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone is sourced from PubChem (CID 104692785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).