1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone

C15H20N2O3S — CID 45204396

IUPAC1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ccc(C(=O)N2CCOCC2)s1
InChIInChI=1S/C15H20N2O3S/c1-11(18)17-6-2-3-12(17)13-4-5-14(21-13)15(19)16-7-9-20-10-8-16/h4-5,12H,2-3,6-10H2,1H3
InChIKeyPXKDWSYIARHJPD-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.90
Rot. Bonds2

About 1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone

1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 45204396) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID45204396
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ccc(C(=O)N2CCOCC2)s1
InChIInChI=1S/C15H20N2O3S/c1-11(18)17-6-2-3-12(17)13-4-5-14(21-13)15(19)16-7-9-20-10-8-16/h4-5,12H,2-3,6-10H2,1H3
InChIKeyPXKDWSYIARHJPD-UHFFFAOYSA-N
XLogP1.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene-2-carboxylic acid, morpholide
CID 531921
N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372
[5-(Morpholine-4-carbonyl)-thiophen-2-yl]-morpholin-4-yl-methanone
CID 723574
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-thiophen-2-yl}-methanone
CID 11587883
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylthiophen-2-yl)-methanone
CID 11695753
2,6-Dimethylmorpholin-4-yl 2-thienyl ketone
CID 2851287
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2477180
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2998722
N-[1-(Morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]thiophene-2-carboxamide
CID 3237806
(5-Ethylthiophen-2-yl)(pyrrolidin-1-yl)methanone
CID 1246054
(2-Ethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 2842657
4-({5-[1-(2,2-Dimethylpropanoyl)-2-pyrrolidinyl]-2-thienyl}carbonyl)morpholine
CID 45186826

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone (CID 45204396) is 1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1ccc(C(=O)N2CCOCC2)s1.
What is the InChIKey of 1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is PXKDWSYIARHJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11(18)17-6-2-3-12(17)13-4-5-14(21-13)15(19)16-7-9-20-10-8-16/h4-5,12H,2-3,6-10H2,1H3.
What are the key properties of 1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone?
1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 308.40 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 45204396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).