2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone

C17H19NO2S2 — CID 95281918

IUPAC2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
SMILESO=C(C[C@H]1OCCc2sccc21)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C17H19NO2S2/c19-17(10-15-13-5-9-22-16(13)3-7-20-15)18-6-1-2-14(18)12-4-8-21-11-12/h4-5,8-9,11,14-15H,1-3,6-7,10H2/t14-,15-/m1/s1
InChIKeyMTLTXPLGBZDJDF-HUUCEWRRSA-N
MW333.48 g/mol
LogP4.18
Rot. Bonds3

About 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone

2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone (PubChem CID 95281918) has the molecular formula C17H19NO2S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
PubChem CID95281918
Molecular FormulaC17H19NO2S2
Molecular Weight333.48 g/mol
Exact Mass333.09
IUPAC Name2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
SMILESO=C(C[C@H]1OCCc2sccc21)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C17H19NO2S2/c19-17(10-15-13-5-9-22-16(13)3-7-20-15)18-6-1-2-14(18)12-4-8-21-11-12/h4-5,8-9,11,14-15H,1-3,6-7,10H2/t14-,15-/m1/s1
InChIKeyMTLTXPLGBZDJDF-HUUCEWRRSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95308603
2-[(3S)-pyrrolidin-3-yl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 154840235
1-morpholin-4-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione
CID 47036037
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95354822
2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95740590
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913
7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
CID 54871536
2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97004306
2-methyl-4-oxo-2-propan-2-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butanoic acid
CID 60948810
2-(butan-2-ylamino)-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 54871562

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone (CID 95281918) is 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone is O=C(C[C@H]1OCCc2sccc21)N1CCC[C@@H]1c1ccsc1.
What is the InChIKey of 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone?
The InChIKey is MTLTXPLGBZDJDF-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H19NO2S2/c19-17(10-15-13-5-9-22-16(13)3-7-20-15)18-6-1-2-14(18)12-4-8-21-11-12/h4-5,8-9,11,14-15H,1-3,6-7,10H2/t14-,15-/m1/s1.
What are the key properties of 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone?
2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone has a molecular weight of 333.48 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95281918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).