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

C15H23N3OS — CID 66432722

IUPAC4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one
SMILESNCC(CC(=O)N1CCCC1)N1CCc2sccc2C1
InChIInChI=1S/C15H23N3OS/c16-10-13(9-15(19)17-5-1-2-6-17)18-7-3-14-12(11-18)4-8-20-14/h4,8,13H,1-3,5-7,9-11,16H2
InChIKeyDVGAYGNLTJOSJY-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.45
Rot. Bonds4

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

4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 66432722) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one
PubChem CID66432722
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one
SMILESNCC(CC(=O)N1CCCC1)N1CCc2sccc2C1
InChIInChI=1S/C15H23N3OS/c16-10-13(9-15(19)17-5-1-2-6-17)18-7-3-14-12(11-18)4-8-20-14/h4,8,13H,1-3,5-7,9-11,16H2
InChIKeyDVGAYGNLTJOSJY-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-methoxypropan-1-amine
CID 103225266
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethoxybutan-1-amine
CID 66269555
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylbutan-1-amine
CID 79413918
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butane-1,4-dione
CID 86890818
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylethanone
CID 13274794
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-1-pyrrolidin-1-ylbutan-1-one
CID 115559409
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 43101067
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
4-amino-3-(3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66430065
2-(1-aminocyclobutyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 79851562
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-pyrrolidin-1-ylethylamino)ethanone
CID 60711035
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60611908

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one (CID 66432722) is 4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one is NCC(CC(=O)N1CCCC1)N1CCc2sccc2C1.
What is the InChIKey of 4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is DVGAYGNLTJOSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c16-10-13(9-15(19)17-5-1-2-6-17)18-7-3-14-12(11-18)4-8-20-14/h4,8,13H,1-3,5-7,9-11,16H2.
What are the key properties of 4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one?
4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 293.44 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 66432722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).