N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C11H12N2O3S — CID 46870654

IUPACN,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCNC(=O)C1=Cc2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C11H12N2O3S/c1-12-11(14)9-7-8-5-3-4-6-10(8)17(15,16)13(9)2/h3-7H,1-2H3,(H,12,14)
InChIKeyNUOZJGOQDVJCEJ-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.41
Rot. Bonds1

About N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 46870654) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID46870654
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC NameN,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCNC(=O)C1=Cc2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C11H12N2O3S/c1-12-11(14)9-7-8-5-3-4-6-10(8)17(15,16)13(9)2/h3-7H,1-2H3,(H,12,14)
InChIKeyNUOZJGOQDVJCEJ-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trimethyl-N-(2-oxo-1,2-dihydro-3-pyridinyl)benzenesulfonamide
CID 672551
4-chloro-N-ethyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 46870384
4-chloro-N-cyclopropyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 46870465
N-ethyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 46870652
N,N,2-trimethyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 46870655
2-methyl-1,1-dioxo-N-propyl-1lambda6,2-benzothiazine-3-carboxamide
CID 46870656
N-cyclopropyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 46870657
N-(2,2-difluoroethyl)-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 46870660
N-(6-chloro-2-hydroxypyridin-3-yl)-4-propylbenzene-1-sulfonamide
CID 117696233
2-methyl-1,1-dioxo-N-propan-2-yl-1lambda6,2-benzothiazine-3-carboxamide
CID 122192526
N-cyclopropyl-2,4-dimethyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 122192527
N,4-dicyclopropyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 122192528

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 46870654) is N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CNC(=O)C1=Cc2ccccc2S(=O)(=O)N1C.
What is the InChIKey of N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is NUOZJGOQDVJCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-12-11(14)9-7-8-5-3-4-6-10(8)17(15,16)13(9)2/h3-7H,1-2H3,(H,12,14).
What are the key properties of N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 46870654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).