N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C12H14N2O3S — CID 46870652

IUPACN-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCCNC(=O)C1=Cc2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C12H14N2O3S/c1-3-13-12(15)10-8-9-6-4-5-7-11(9)18(16,17)14(10)2/h4-8H,3H2,1-2H3,(H,13,15)
InChIKeyNDBQNXYMXBMADG-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.80
Rot. Bonds2

About N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 46870652) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID46870652
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCCNC(=O)C1=Cc2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C12H14N2O3S/c1-3-13-12(15)10-8-9-6-4-5-7-11(9)18(16,17)14(10)2/h4-8H,3H2,1-2H3,(H,13,15)
InChIKeyNDBQNXYMXBMADG-UHFFFAOYSA-N
XLogP0.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 46870652) is N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CCNC(=O)C1=Cc2ccccc2S(=O)(=O)N1C.
What is the InChIKey of N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is NDBQNXYMXBMADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-13-12(15)10-8-9-6-4-5-7-11(9)18(16,17)14(10)2/h4-8H,3H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 46870652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).