(2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate

C12H15NO4S — CID 2431072

IUPAC(2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C12H15NO4S/c1-9-2-7-18-11(9)12(15)17-8-10(14)13-3-5-16-6-4-13/h2,7H,3-6,8H2,1H3
InChIKeyHSBGEASFQTWFHZ-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.07
Rot. Bonds3

About (2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate

(2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate (PubChem CID 2431072) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate
PubChem CID2431072
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C12H15NO4S/c1-9-2-7-18-11(9)12(15)17-8-10(14)13-3-5-16-6-4-13/h2,7H,3-6,8H2,1H3
InChIKeyHSBGEASFQTWFHZ-UHFFFAOYSA-N
XLogP1.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate (CID 2431072) is (2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate?
The InChIKey is HSBGEASFQTWFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-9-2-7-18-11(9)12(15)17-8-10(14)13-3-5-16-6-4-13/h2,7H,3-6,8H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate?
(2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate has a molecular weight of 269.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2431072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).