methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate

C11H12ClNO4S — CID 104774896

IUPACmethyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1sccc1Cl
InChIInChI=1S/C11H12ClNO4S/c1-16-11(15)8-6-17-4-3-13(8)10(14)9-7(12)2-5-18-9/h2,5,8H,3-4,6H2,1H3
InChIKeyXHTCOPUTNBVAKQ-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.42
Rot. Bonds2

About methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate

methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate (PubChem CID 104774896) has the molecular formula C11H12ClNO4S and a molecular weight of 289.74 g/mol. Its IUPAC name is methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate
PubChem CID104774896
Molecular FormulaC11H12ClNO4S
Molecular Weight289.74 g/mol
Exact Mass289.02
IUPAC Namemethyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1sccc1Cl
InChIInChI=1S/C11H12ClNO4S/c1-16-11(15)8-6-17-4-3-13(8)10(14)9-7(12)2-5-18-9/h2,5,8H,3-4,6H2,1H3
InChIKeyXHTCOPUTNBVAKQ-UHFFFAOYSA-N
XLogP1.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate (CID 104774896) is methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)c1sccc1Cl.
What is the InChIKey of methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate?
The InChIKey is XHTCOPUTNBVAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S/c1-16-11(15)8-6-17-4-3-13(8)10(14)9-7(12)2-5-18-9/h2,5,8H,3-4,6H2,1H3.
What are the key properties of methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate?
methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate has a molecular weight of 289.74 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate is sourced from PubChem (CID 104774896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).