ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate

C13H18N2O3S2 — CID 61113750

IUPACethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate
SMILESCCOC(=O)C1CSCCN1C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C13H18N2O3S2/c1-3-18-13(17)10-7-19-5-4-15(10)12(16)11-6-9(14)8(2)20-11/h6,10H,3-5,7,14H2,1-2H3
InChIKeyRZCJWQOECWLJJO-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.76
Rot. Bonds3

About ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate

ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate (PubChem CID 61113750) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate
PubChem CID61113750
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC Nameethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate
SMILESCCOC(=O)C1CSCCN1C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C13H18N2O3S2/c1-3-18-13(17)10-7-19-5-4-15(10)12(16)11-6-9(14)8(2)20-11/h6,10H,3-5,7,14H2,1-2H3
InChIKeyRZCJWQOECWLJJO-UHFFFAOYSA-N
XLogP1.76
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate?
The IUPAC name of ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate (CID 61113750) is ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate is CCOC(=O)C1CSCCN1C(=O)c1cc(N)c(C)s1.
What is the InChIKey of ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate?
The InChIKey is RZCJWQOECWLJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c1-3-18-13(17)10-7-19-5-4-15(10)12(16)11-6-9(14)8(2)20-11/h6,10H,3-5,7,14H2,1-2H3.
What are the key properties of ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate?
ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate is sourced from PubChem (CID 61113750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).