6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone

C13H18N2OS — CID 79383461

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C13H18N2OS/c1-9-11(2-5-14-9)13(16)15-6-3-12-10(8-15)4-7-17-12/h4,7,9,11,14H,2-3,5-6,8H2,1H3
InChIKeyLERVVUKGCDJIEQ-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.63
Rot. Bonds1

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone (PubChem CID 79383461) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone
PubChem CID79383461
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C13H18N2OS/c1-9-11(2-5-14-9)13(16)15-6-3-12-10(8-15)4-7-17-12/h4,7,9,11,14H,2-3,5-6,8H2,1H3
InChIKeyLERVVUKGCDJIEQ-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119700115
(2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 79382749
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943586
[(4aR,6S,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazin-6-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 155493695
(3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 79383471
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpyrrolidin-3-yl)methanone
CID 79385316
[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 97077110
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 66258258
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(2R,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 95133091
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbutan-1-one
CID 79809401
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3,5-dimethylpiperazin-1-yl)ethanone
CID 63872359
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 56812849

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone (CID 79383461) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone is CC1NCCC1C(=O)N1CCc2sccc2C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone?
The InChIKey is LERVVUKGCDJIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9-11(2-5-14-9)13(16)15-6-3-12-10(8-15)4-7-17-12/h4,7,9,11,14H,2-3,5-6,8H2,1H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone has a molecular weight of 250.37 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 79383461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).