[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C17H16ClNOS — CID 97077110

IUPAC[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCc2sccc2C1
InChIInChI=1S/C17H16ClNOS/c18-13-3-1-2-11(8-13)14-9-15(14)17(20)19-6-4-16-12(10-19)5-7-21-16/h1-3,5,7-8,14-15H,4,6,9-10H2/t14-,15-/m1/s1
InChIKeyLHKULIIYYBBOJO-HUUCEWRRSA-N
MW317.84 g/mol
LogP4.09
Rot. Bonds2

About [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 97077110) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID97077110
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCc2sccc2C1
InChIInChI=1S/C17H16ClNOS/c18-13-3-1-2-11(8-13)14-9-15(14)17(20)19-6-4-16-12(10-19)5-7-21-16/h1-3,5,7-8,14-15H,4,6,9-10H2/t14-,15-/m1/s1
InChIKeyLHKULIIYYBBOJO-HUUCEWRRSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119374366
[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-(1,4-thiazepan-4-yl)methanone
CID 52910524
[4-(aminomethyl)piperidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119423325
[2-(3-chlorophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone
CID 119415861
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
trans-(1R,2R)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 94416105
N-[(3-chlorophenyl)methyl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 55884421
(2,5-dichlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24778011
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone
CID 79383461
[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98767571
[2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779940
(2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125152161

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 97077110) is [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCc2sccc2C1.
What is the InChIKey of [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is LHKULIIYYBBOJO-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H16ClNOS/c18-13-3-1-2-11(8-13)14-9-15(14)17(20)19-6-4-16-12(10-19)5-7-21-16/h1-3,5,7-8,14-15H,4,6,9-10H2/t14-,15-/m1/s1.
What are the key properties of [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 317.84 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 97077110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).