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

C19H26N2O2S — CID 124856927

IUPAC1-(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
SMILESO=C(CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCc2sccc2C1
InChIInChI=1S/C19H26N2O2S/c22-16(21-8-3-15-13(12-21)5-10-24-15)11-20-17-14-4-9-23-18(14)19(17)6-1-2-7-19/h5,10,14,17-18,20H,1-4,6-9,11-12H2/t14-,17+,18+/m0/s1
InChIKeyVLPUOPJEDCQPJD-BMGDILEWSA-N
MW346.50 g/mol
LogP2.57
Rot. Bonds3

About 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

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 (PubChem CID 124856927) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID124856927
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name1-(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
SMILESO=C(CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCc2sccc2C1
InChIInChI=1S/C19H26N2O2S/c22-16(21-8-3-15-13(12-21)5-10-24-15)11-20-17-14-4-9-23-18(14)19(17)6-1-2-7-19/h5,10,14,17-18,20H,1-4,6-9,11-12H2/t14-,17+,18+/m0/s1
InChIKeyVLPUOPJEDCQPJD-BMGDILEWSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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-[(2-methylcyclopentyl)amino]ethanone
CID 55171470
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(3R,4R)-4-methoxyoxan-3-yl]amino]ethanone
CID 136586090
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-[1-(oxolan-3-yl)ethylamino]ethanone
CID 115889297
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
2-(1-aminocyclobutyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 79851562
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 100893095
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-pyrrolidin-1-ylethylamino)ethanone
CID 60711035
4-(azepane-1-carbonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidine-1-carboxamide
CID 86882077
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoic acid
CID 43466234
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)ethanone
CID 56780034

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCc2sccc2C1.
What is the InChIKey of 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?
The InChIKey is VLPUOPJEDCQPJD-BMGDILEWSA-N. The full InChI is InChI=1S/C19H26N2O2S/c22-16(21-8-3-15-13(12-21)5-10-24-15)11-20-17-14-4-9-23-18(14)19(17)6-1-2-7-19/h5,10,14,17-18,20H,1-4,6-9,11-12H2/t14-,17+,18+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 346.50 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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-[[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]ethanone is sourced from PubChem (CID 124856927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).