2-methyl-1,1-dioxo-N-propan-2-yl-1λ6,2-benzothiazine-3-carboxamide

C13H16N2O3S — CID 122192526

IUPAC2-methyl-1,1-dioxo-N-propan-2-yl-1λ6,2-benzothiazine-3-carboxamide
SMILESCC(C)NC(=O)C1=Cc2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C13H16N2O3S/c1-9(2)14-13(16)11-8-10-6-4-5-7-12(10)19(17,18)15(11)3/h4-9H,1-3H3,(H,14,16)
InChIKeyGVHMXIXBHXXBPG-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.19
Rot. Bonds2

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

2-methyl-1,1-dioxo-N-propan-2-yl-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 122192526) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-methyl-1,1-dioxo-N-propan-2-yl-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1,1-dioxo-N-propan-2-yl-1λ6,2-benzothiazine-3-carboxamide
PubChem CID122192526
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-methyl-1,1-dioxo-N-propan-2-yl-1λ6,2-benzothiazine-3-carboxamide
SMILESCC(C)NC(=O)C1=Cc2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C13H16N2O3S/c1-9(2)14-13(16)11-8-10-6-4-5-7-12(10)19(17,18)15(11)3/h4-9H,1-3H3,(H,14,16)
InChIKeyGVHMXIXBHXXBPG-UHFFFAOYSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-((2,4-Dimethylphenyl)sulfonyl)piperazin-2-one
CID 8321458
2,4,6-trimethyl-N-(2-oxo-1,2-dihydro-3-pyridinyl)benzenesulfonamide
CID 672551
N-cyclopropyl-N~2~-ethyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 934846
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,2-dimethyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 46870654
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-(4-Amino-cyclohexylmethyl)-2-[6-methyl-2-oxo-3-(toluene-4-sulfonylamino)-2H-pyridin-1-yl]-acetamide
CID 44283808

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-dioxo-N-propan-2-yl-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 2-methyl-1,1-dioxo-N-propan-2-yl-1λ6,2-benzothiazine-3-carboxamide (CID 122192526) is 2-methyl-1,1-dioxo-N-propan-2-yl-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 2-methyl-1,1-dioxo-N-propan-2-yl-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 2-methyl-1,1-dioxo-N-propan-2-yl-1λ6,2-benzothiazine-3-carboxamide is CC(C)NC(=O)C1=Cc2ccccc2S(=O)(=O)N1C.
What is the InChIKey of 2-methyl-1,1-dioxo-N-propan-2-yl-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is GVHMXIXBHXXBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-9(2)14-13(16)11-8-10-6-4-5-7-12(10)19(17,18)15(11)3/h4-9H,1-3H3,(H,14,16).
What are the key properties of 2-methyl-1,1-dioxo-N-propan-2-yl-1λ6,2-benzothiazine-3-carboxamide?
2-methyl-1,1-dioxo-N-propan-2-yl-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-dioxo-N-propan-2-yl-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 122192526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).