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

C11H15N3O4S — CID 103419080

IUPACmethyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCOCC2)c(C(N)=O)c1N
InChIInChI=1S/C11H15N3O4S/c1-17-11(16)8-7(12)6(9(13)15)10(19-8)14-2-4-18-5-3-14/h2-5,12H2,1H3,(H2,13,15)
InChIKeyKJKMVPFLRUOESM-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.05
Rot. Bonds3

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

methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate (PubChem CID 103419080) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate
PubChem CID103419080
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Namemethyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCOCC2)c(C(N)=O)c1N
InChIInChI=1S/C11H15N3O4S/c1-17-11(16)8-7(12)6(9(13)15)10(19-8)14-2-4-18-5-3-14/h2-5,12H2,1H3,(H2,13,15)
InChIKeyKJKMVPFLRUOESM-UHFFFAOYSA-N
XLogP0.05
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-5-(azepan-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103419607
methyl 3-amino-4-(methylcarbamoyl)-5-morpholin-4-ylthiophene-2-carboxylate
CID 103419039
methyl 3-amino-5-(3-aminopyrrolidin-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103525742
methyl 3-amino-4-cyano-5-(1,4-oxazepan-4-yl)thiophene-2-carboxylate
CID 103421749
methyl 4-amino-2-(1,4-oxazepan-4-yl)-5-propanoylthiophene-3-carboxylate
CID 103421841
methyl 4-amino-5-carbamoyl-2-thiomorpholin-4-ylthiophene-3-carboxylate
CID 103418422
methyl 4-amino-5-carbamoyl-2-(4-methylpiperazin-1-yl)thiophene-3-carboxylate
CID 103419338
methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103421714
methyl 4-amino-2-(4-aminopiperidin-1-yl)-5-carbamoylthiophene-3-carboxylate
CID 103525672
methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate
CID 103418259
4-O-ethyl 2-O-methyl 3-amino-5-thiomorpholin-4-ylthiophene-2,4-dicarboxylate
CID 103418425
5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419870

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate (CID 103419080) is methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate is COC(=O)c1sc(N2CCOCC2)c(C(N)=O)c1N.
What is the InChIKey of methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate?
The InChIKey is KJKMVPFLRUOESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-17-11(16)8-7(12)6(9(13)15)10(19-8)14-2-4-18-5-3-14/h2-5,12H2,1H3,(H2,13,15).
What are the key properties of methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate?
methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate has a molecular weight of 285.32 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate is sourced from PubChem (CID 103419080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).