methyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate

C11H13N3O3S — CID 2819883

IUPACmethyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCOCC2)c(C#N)c1N
InChIInChI=1S/C11H13N3O3S/c1-16-11(15)9-8(13)7(6-12)10(18-9)14-2-4-17-5-3-14/h2-5,13H2,1H3
InChIKeyUMWBBCVVNXMNIW-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.83
Rot. Bonds2

About methyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate

methyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate (PubChem CID 2819883) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is methyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate
PubChem CID2819883
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Namemethyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCOCC2)c(C#N)c1N
InChIInChI=1S/C11H13N3O3S/c1-16-11(15)9-8(13)7(6-12)10(18-9)14-2-4-17-5-3-14/h2-5,13H2,1H3
InChIKeyUMWBBCVVNXMNIW-UHFFFAOYSA-N
XLogP0.83
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate (CID 2819883) is methyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate is COC(=O)c1sc(N2CCOCC2)c(C#N)c1N.
What is the InChIKey of methyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate?
The InChIKey is UMWBBCVVNXMNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-16-11(15)9-8(13)7(6-12)10(18-9)14-2-4-17-5-3-14/h2-5,13H2,1H3.
What are the key properties of methyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate?
methyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate has a molecular weight of 267.31 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-cyano-5-morpholin-4-ylthiophene-2-carboxylate is sourced from PubChem (CID 2819883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).