1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one

C18H22N2OS2 — CID 94632074

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one
SMILESO=C(CCN1CCC[C@@H]1c1ccsc1)N1CCc2sccc2C1
InChIInChI=1S/C18H22N2OS2/c21-18(20-8-3-17-14(12-20)6-11-23-17)4-9-19-7-1-2-16(19)15-5-10-22-13-15/h5-6,10-11,13,16H,1-4,7-9,12H2/t16-/m1/s1
InChIKeyRCKBDYPCNFDMTE-MRXNPFEDSA-N
MW346.52 g/mol
LogP3.92
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 94632074) has the molecular formula C18H22N2OS2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one
PubChem CID94632074
Molecular FormulaC18H22N2OS2
Molecular Weight346.52 g/mol
Exact Mass346.12
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one
SMILESO=C(CCN1CCC[C@@H]1c1ccsc1)N1CCc2sccc2C1
InChIInChI=1S/C18H22N2OS2/c21-18(20-8-3-17-14(12-20)6-11-23-17)4-9-19-7-1-2-16(19)15-5-10-22-13-15/h5-6,10-11,13,16H,1-4,7-9,12H2/t16-/m1/s1
InChIKeyRCKBDYPCNFDMTE-MRXNPFEDSA-N
XLogP3.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

(2S)-1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910319
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 94631978
3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
CID 119134694
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(4-hydroxypiperidin-1-yl)propan-1-one
CID 47314056
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butane-1,4-dione
CID 146084705
2-[(2R)-2-benzylpyrrolidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 32665629
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiophen-3-ylmethylamino)ethanone
CID 63248082
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 56816880
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087259
N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087258
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[3-(methylaminomethyl)piperidin-1-yl]butane-1,4-dione
CID 119397234

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one (CID 94632074) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one is O=C(CCN1CCC[C@@H]1c1ccsc1)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is RCKBDYPCNFDMTE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2OS2/c21-18(20-8-3-17-14(12-20)6-11-23-17)4-9-19-7-1-2-16(19)15-5-10-22-13-15/h5-6,10-11,13,16H,1-4,7-9,12H2/t16-/m1/s1.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 346.52 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 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)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 94632074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).