1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one

C17H26N2O2S — CID 71927855

IUPAC1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one
SMILESCCC1CN(C(=O)C(C)c2ccsc2)CC1N1CCOCC1
InChIInChI=1S/C17H26N2O2S/c1-3-14-10-19(11-16(14)18-5-7-21-8-6-18)17(20)13(2)15-4-9-22-12-15/h4,9,12-14,16H,3,5-8,10-11H2,1-2H3
InChIKeyMPDYUSWIAACXOA-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.42
Rot. Bonds4

About 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one

1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one (PubChem CID 71927855) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one
PubChem CID71927855
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one
SMILESCCC1CN(C(=O)C(C)c2ccsc2)CC1N1CCOCC1
InChIInChI=1S/C17H26N2O2S/c1-3-14-10-19(11-16(14)18-5-7-21-8-6-18)17(20)13(2)15-4-9-22-12-15/h4,9,12-14,16H,3,5-8,10-11H2,1-2H3
InChIKeyMPDYUSWIAACXOA-UHFFFAOYSA-N
XLogP2.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one (CID 71927855) is 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one is CCC1CN(C(=O)C(C)c2ccsc2)CC1N1CCOCC1.
What is the InChIKey of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one?
The InChIKey is MPDYUSWIAACXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-3-14-10-19(11-16(14)18-5-7-21-8-6-18)17(20)13(2)15-4-9-22-12-15/h4,9,12-14,16H,3,5-8,10-11H2,1-2H3.
What are the key properties of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one?
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one has a molecular weight of 322.47 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 71927855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).