methyl 2-morpholin-4-yl-2-thiophen-3-ylacetate

C11H15NO3S — CID 134965438

IUPACmethyl 2-morpholin-4-yl-2-thiophen-3-ylacetate
SMILESCOC(=O)C(c1ccsc1)N1CCOCC1
InChIInChI=1S/C11H15NO3S/c1-14-11(13)10(9-2-7-16-8-9)12-3-5-15-6-4-12/h2,7-8,10H,3-6H2,1H3
InChIKeyRKRBSPYQYNPWCN-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.29
Rot. Bonds3

About methyl 2-morpholin-4-yl-2-thiophen-3-ylacetate

methyl 2-morpholin-4-yl-2-thiophen-3-ylacetate (PubChem CID 134965438) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-2-thiophen-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-2-thiophen-3-ylacetate
PubChem CID134965438
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Namemethyl 2-morpholin-4-yl-2-thiophen-3-ylacetate
SMILESCOC(=O)C(c1ccsc1)N1CCOCC1
InChIInChI=1S/C11H15NO3S/c1-14-11(13)10(9-2-7-16-8-9)12-3-5-15-6-4-12/h2,7-8,10H,3-6H2,1H3
InChIKeyRKRBSPYQYNPWCN-UHFFFAOYSA-N
XLogP1.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-2-thiophen-3-ylacetate?
The IUPAC name of methyl 2-morpholin-4-yl-2-thiophen-3-ylacetate (CID 134965438) is methyl 2-morpholin-4-yl-2-thiophen-3-ylacetate.
What is the SMILES notation for methyl 2-morpholin-4-yl-2-thiophen-3-ylacetate?
The canonical SMILES for methyl 2-morpholin-4-yl-2-thiophen-3-ylacetate is COC(=O)C(c1ccsc1)N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-yl-2-thiophen-3-ylacetate?
The InChIKey is RKRBSPYQYNPWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-14-11(13)10(9-2-7-16-8-9)12-3-5-15-6-4-12/h2,7-8,10H,3-6H2,1H3.
What are the key properties of methyl 2-morpholin-4-yl-2-thiophen-3-ylacetate?
methyl 2-morpholin-4-yl-2-thiophen-3-ylacetate has a molecular weight of 241.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-2-thiophen-3-ylacetate is sourced from PubChem (CID 134965438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).