3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide

C11H16N4O2S2 — CID 103418473

IUPAC3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(N2CCSCC2)c(C(N)=O)c1N
InChIInChI=1S/C11H16N4O2S2/c1-14-10(17)8-7(12)6(9(13)16)11(19-8)15-2-4-18-5-3-15/h2-5,12H2,1H3,(H2,13,16)(H,14,17)
InChIKeyRLCGOYFCEGLRHU-UHFFFAOYSA-N
MW300.41 g/mol
LogP0.34
Rot. Bonds3

About 3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide

3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide (PubChem CID 103418473) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide
PubChem CID103418473
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(N2CCSCC2)c(C(N)=O)c1N
InChIInChI=1S/C11H16N4O2S2/c1-14-10(17)8-7(12)6(9(13)16)11(19-8)15-2-4-18-5-3-15/h2-5,12H2,1H3,(H2,13,16)(H,14,17)
InChIKeyRLCGOYFCEGLRHU-UHFFFAOYSA-N
XLogP0.34
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 103525709
methyl 4-amino-5-carbamoyl-2-thiomorpholin-4-ylthiophene-3-carboxylate
CID 103418422
3-amino-N-methyl-4-methylsulfanyl-5-(1,4-thiazepan-4-yl)thiophene-2-carboxamide
CID 103418099
3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide
CID 103419370
methyl 3-amino-5-(azepan-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103419607
ethyl 4-amino-5-carbamoyl-2-thiomorpholin-4-ylthiophene-3-carboxylate
CID 103418440
5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419870
methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate
CID 103419080
methyl 4-amino-5-(methylcarbamoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carboxylate
CID 103507480
3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide
CID 103422098
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
methyl 3-amino-4-(methylcarbamoyl)-5-morpholin-4-ylthiophene-2-carboxylate
CID 103419039

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide (CID 103418473) is 3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide is CNC(=O)c1sc(N2CCSCC2)c(C(N)=O)c1N.
What is the InChIKey of 3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide?
The InChIKey is RLCGOYFCEGLRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-14-10(17)8-7(12)6(9(13)16)11(19-8)15-2-4-18-5-3-15/h2-5,12H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide?
3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide has a molecular weight of 300.41 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 103418473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).