(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone

C11H14INO2S — CID 78966403

IUPAC(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone
SMILESCCC1COCCN1C(=O)c1csc(I)c1
InChIInChI=1S/C11H14INO2S/c1-2-9-6-15-4-3-13(9)11(14)8-5-10(12)16-7-8/h5,7,9H,2-4,6H2,1H3
InChIKeyMRMCHMYECOMGGC-UHFFFAOYSA-N
MW351.21 g/mol
LogP2.60
Rot. Bonds2

About (3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone

(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone (PubChem CID 78966403) has the molecular formula C11H14INO2S and a molecular weight of 351.21 g/mol. Its IUPAC name is (3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone
PubChem CID78966403
Molecular FormulaC11H14INO2S
Molecular Weight351.21 g/mol
Exact Mass350.98
IUPAC Name(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone
SMILESCCC1COCCN1C(=O)c1csc(I)c1
InChIInChI=1S/C11H14INO2S/c1-2-9-6-15-4-3-13(9)11(14)8-5-10(12)16-7-8/h5,7,9H,2-4,6H2,1H3
InChIKeyMRMCHMYECOMGGC-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethylmorpholin-4-yl)-(5-hydroxy-3-pyridinyl)methanone
CID 55257874
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 66464852
2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116696729
(3-chloro-4-hydroxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613528
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104614640
[4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone
CID 63185055
(2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 113379780
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
2-[(3S)-4-(5-ethylthiophene-3-carbonyl)morpholin-3-yl]-1-thiomorpholin-4-ylethanone
CID 95880591
3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43613610
(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 115999932

Frequently Asked Questions

What is the IUPAC name of (3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone?
The IUPAC name of (3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone (CID 78966403) is (3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for (3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for (3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone is CCC1COCCN1C(=O)c1csc(I)c1.
What is the InChIKey of (3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone?
The InChIKey is MRMCHMYECOMGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2S/c1-2-9-6-15-4-3-13(9)11(14)8-5-10(12)16-7-8/h5,7,9H,2-4,6H2,1H3.
What are the key properties of (3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone?
(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone has a molecular weight of 351.21 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 78966403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).