morpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone

C16H24N2O2S — CID 45248906

IUPACmorpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone
SMILESCCCN1CCCC1c1ccc(C(=O)N2CCOCC2)s1
InChIInChI=1S/C16H24N2O2S/c1-2-7-17-8-3-4-13(17)14-5-6-15(21-14)16(19)18-9-11-20-12-10-18/h5-6,13H,2-4,7-12H2,1H3
InChIKeyBJKQXGFNBICWFO-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.77
Rot. Bonds4

About morpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone

morpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone (PubChem CID 45248906) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is morpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone
PubChem CID45248906
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Namemorpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone
SMILESCCCN1CCCC1c1ccc(C(=O)N2CCOCC2)s1
InChIInChI=1S/C16H24N2O2S/c1-2-7-17-8-3-4-13(17)14-5-6-15(21-14)16(19)18-9-11-20-12-10-18/h5-6,13H,2-4,7-12H2,1H3
InChIKeyBJKQXGFNBICWFO-UHFFFAOYSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene-2-carboxylic acid, morpholide
CID 531921
[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
N-(2-methyl-2-morpholin-4-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 16196057
(5-Ethylthiophen-2-yl)(pyrrolidin-1-yl)methanone
CID 1246054
1-Cyclohexyl-4-[(5-methyl-2-thienyl)carbonyl]piperazine
CID 1245630
(2-Ethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 2842657

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone (CID 45248906) is morpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone is CCCN1CCCC1c1ccc(C(=O)N2CCOCC2)s1.
What is the InChIKey of morpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone?
The InChIKey is BJKQXGFNBICWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-7-17-8-3-4-13(17)14-5-6-15(21-14)16(19)18-9-11-20-12-10-18/h5-6,13H,2-4,7-12H2,1H3.
What are the key properties of morpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone?
morpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone has a molecular weight of 308.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-(1-propylpyrrolidin-2-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 45248906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).