3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one

C19H22N2O2S — CID 156697922

IUPAC3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one
SMILESO=C1NCc2c(CCc3ccc(CN4CCOCC4)cc3)csc21
InChIInChI=1S/C19H22N2O2S/c22-19-18-17(11-20-19)16(13-24-18)6-5-14-1-3-15(4-2-14)12-21-7-9-23-10-8-21/h1-4,13H,5-12H2,(H,20,22)
InChIKeySCYNUAUZKPYKGS-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.61
Rot. Bonds5

About 3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one

3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one (PubChem CID 156697922) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one
PubChem CID156697922
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one
SMILESO=C1NCc2c(CCc3ccc(CN4CCOCC4)cc3)csc21
InChIInChI=1S/C19H22N2O2S/c22-19-18-17(11-20-19)16(13-24-18)6-5-14-1-3-15(4-2-14)12-21-7-9-23-10-8-21/h1-4,13H,5-12H2,(H,20,22)
InChIKeySCYNUAUZKPYKGS-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
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3-[4-(morpholin-4-ylmethyl)phenyl]propan-1-amine
CID 83384330
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
CID 59303659
CID 59303659
2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78823479
2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119832087
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
2-[4-(morpholin-4-ylmethyl)phenyl]propan-2-amine
CID 82026958
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The IUPAC name of 3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one (CID 156697922) is 3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one.
What is the SMILES notation for 3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The canonical SMILES for 3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one is O=C1NCc2c(CCc3ccc(CN4CCOCC4)cc3)csc21.
What is the InChIKey of 3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The InChIKey is SCYNUAUZKPYKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-19-18-17(11-20-19)16(13-24-18)6-5-14-1-3-15(4-2-14)12-21-7-9-23-10-8-21/h1-4,13H,5-12H2,(H,20,22).
What are the key properties of 3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one has a molecular weight of 342.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 156697922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).