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

C15H22N2O3S — CID 136586090

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone
SMILESCO[C@@H]1CCOC[C@H]1NCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C15H22N2O3S/c1-19-13-3-6-20-10-12(13)16-8-15(18)17-5-2-14-11(9-17)4-7-21-14/h4,7,12-13,16H,2-3,5-6,8-10H2,1H3/t12-,13-/m1/s1
InChIKeyRCFUTDHYTUQSEL-CHWSQXEVSA-N
MW310.42 g/mol
LogP1.03
Rot. Bonds4

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

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone (PubChem CID 136586090) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone
PubChem CID136586090
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone
SMILESCO[C@@H]1CCOC[C@H]1NCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C15H22N2O3S/c1-19-13-3-6-20-10-12(13)16-8-15(18)17-5-2-14-11(9-17)4-7-21-14/h4,7,12-13,16H,2-3,5-6,8-10H2,1H3/t12-,13-/m1/s1
InChIKeyRCFUTDHYTUQSEL-CHWSQXEVSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone
CID 115889297
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-methylcyclopentyl)amino]ethanone
CID 55171470
2-(cyclohexylamino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43388465
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-ethylcyclohexyl)amino]ethanone
CID 61469938
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
methyl 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]-3-methylbutanoate
CID 43473111
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-methoxyethoxyamino)ethanone
CID 82722147
N-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94124241
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]ethanone
CID 124856927
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 66258258
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methoxypropylamino)ethanone
CID 43388492
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide
CID 115676847

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone (CID 136586090) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone is CO[C@@H]1CCOC[C@H]1NCC(=O)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone?
The InChIKey is RCFUTDHYTUQSEL-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-19-13-3-6-20-10-12(13)16-8-15(18)17-5-2-14-11(9-17)4-7-21-14/h4,7,12-13,16H,2-3,5-6,8-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone has a molecular weight of 310.42 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone is sourced from PubChem (CID 136586090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).