2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide

C12H19N3O5S3 — CID 10714881

IUPAC2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide
SMILESCCN(C(=O)CN)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C12H19N3O5S3/c1-3-15(10(16)6-13)9-4-7(2)22(17,18)12-8(9)5-11(21-12)23(14,19)20/h5,7,9H,3-4,6,13H2,1-2H3,(H2,14,19,20)
InChIKeyXWLQZIOLUPQASH-UHFFFAOYSA-N
MW381.50 g/mol
LogP-0.19
Rot. Bonds4

About 2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide

2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide (PubChem CID 10714881) has the molecular formula C12H19N3O5S3 and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide
PubChem CID10714881
Molecular FormulaC12H19N3O5S3
Molecular Weight381.50 g/mol
Exact Mass381.05
IUPAC Name2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide
SMILESCCN(C(=O)CN)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C12H19N3O5S3/c1-3-15(10(16)6-13)9-4-7(2)22(17,18)12-8(9)5-11(21-12)23(14,19)20/h5,7,9H,3-4,6,13H2,1-2H3,(H2,14,19,20)
InChIKeyXWLQZIOLUPQASH-UHFFFAOYSA-N
XLogP-0.19
TPSA140.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide?
The IUPAC name of 2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide (CID 10714881) is 2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide?
The canonical SMILES for 2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide is CCN(C(=O)CN)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of 2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide?
The InChIKey is XWLQZIOLUPQASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S3/c1-3-15(10(16)6-13)9-4-7(2)22(17,18)12-8(9)5-11(21-12)23(14,19)20/h5,7,9H,3-4,6,13H2,1-2H3,(H2,14,19,20).
What are the key properties of 2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide?
2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide has a molecular weight of 381.50 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide is sourced from PubChem (CID 10714881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).