[2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate

C14H15N3O5S2 — CID 7603652

IUPAC[2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate
SMILESCN(C)C(=O)COC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
InChIInChI=1S/C14H15N3O5S2/c1-16(2)12(18)8-22-13(19)9-3-4-10-11(7-9)23-14-15-24(20,21)6-5-17(10)14/h3-4,7H,5-6,8H2,1-2H3
InChIKeyGEBKGVPDIRQKLF-UHFFFAOYSA-N
MW369.42 g/mol
LogP0.54
Rot. Bonds3

About [2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate

[2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate (PubChem CID 7603652) has the molecular formula C14H15N3O5S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate
PubChem CID7603652
Molecular FormulaC14H15N3O5S2
Molecular Weight369.42 g/mol
Exact Mass369.05
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate
SMILESCN(C)C(=O)COC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
InChIInChI=1S/C14H15N3O5S2/c1-16(2)12(18)8-22-13(19)9-3-4-10-11(7-9)23-14-15-24(20,21)6-5-17(10)14/h3-4,7H,5-6,8H2,1-2H3
InChIKeyGEBKGVPDIRQKLF-UHFFFAOYSA-N
XLogP0.54
TPSA96.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate (CID 7603652) is [2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate is CN(C)C(=O)COC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate?
The InChIKey is GEBKGVPDIRQKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S2/c1-16(2)12(18)8-22-13(19)9-3-4-10-11(7-9)23-14-15-24(20,21)6-5-17(10)14/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate?
[2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxylate is sourced from PubChem (CID 7603652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).