(4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone

C15H19N3O4S — CID 51364559

IUPAC(4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone
SMILESCC(C)N1N=C(C(=O)N2CCOCC2)S(=O)(=O)c2ccccc21
InChIInChI=1S/C15H19N3O4S/c1-11(2)18-12-5-3-4-6-13(12)23(20,21)14(16-18)15(19)17-7-9-22-10-8-17/h3-6,11H,7-10H2,1-2H3
InChIKeyIVCTVVJHCFACQX-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.86
Rot. Bonds2

About (4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone

(4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone (PubChem CID 51364559) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is (4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone
PubChem CID51364559
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name(4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone
SMILESCC(C)N1N=C(C(=O)N2CCOCC2)S(=O)(=O)c2ccccc21
InChIInChI=1S/C15H19N3O4S/c1-11(2)18-12-5-3-4-6-13(12)23(20,21)14(16-18)15(19)17-7-9-22-10-8-17/h3-6,11H,7-10H2,1-2H3
InChIKeyIVCTVVJHCFACQX-UHFFFAOYSA-N
XLogP0.86
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone (CID 51364559) is (4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone is CC(C)N1N=C(C(=O)N2CCOCC2)S(=O)(=O)c2ccccc21.
What is the InChIKey of (4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone?
The InChIKey is IVCTVVJHCFACQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-11(2)18-12-5-3-4-6-13(12)23(20,21)14(16-18)15(19)17-7-9-22-10-8-17/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone?
(4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone has a molecular weight of 337.40 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dioxo-1-propan-2-yl-4λ6,1,2-benzothiadiazin-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 51364559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).