[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone

C13H18ClNO2S — CID 81212290

IUPAC[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)N1CC(CCl)OCC1C
InChIInChI=1S/C13H18ClNO2S/c1-3-10-4-5-18-12(10)13(16)15-7-11(6-14)17-8-9(15)2/h4-5,9,11H,3,6-8H2,1-2H3
InChIKeyGYQCKJAKJISWRE-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.78
Rot. Bonds3

About [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone (PubChem CID 81212290) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
PubChem CID81212290
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)N1CC(CCl)OCC1C
InChIInChI=1S/C13H18ClNO2S/c1-3-10-4-5-18-12(10)13(16)15-7-11(6-14)17-8-9(15)2/h4-5,9,11H,3,6-8H2,1-2H3
InChIKeyGYQCKJAKJISWRE-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone?
The IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone (CID 81212290) is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone?
The canonical SMILES for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone is CCc1ccsc1C(=O)N1CC(CCl)OCC1C.
What is the InChIKey of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone?
The InChIKey is GYQCKJAKJISWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-3-10-4-5-18-12(10)13(16)15-7-11(6-14)17-8-9(15)2/h4-5,9,11H,3,6-8H2,1-2H3.
What are the key properties of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone?
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone has a molecular weight of 287.81 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 81212290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).