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

C13H14N2O3S — CID 46870657

IUPACN-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)NC2CC2)=Cc2ccccc2S1(=O)=O
InChIInChI=1S/C13H14N2O3S/c1-15-11(13(16)14-10-6-7-10)8-9-4-2-3-5-12(9)19(15,17)18/h2-5,8,10H,6-7H2,1H3,(H,14,16)
InChIKeyZYXDQESRHPXCGX-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.94
Rot. Bonds2

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

N-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 46870657) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID46870657
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)NC2CC2)=Cc2ccccc2S1(=O)=O
InChIInChI=1S/C13H14N2O3S/c1-15-11(13(16)14-10-6-7-10)8-9-4-2-3-5-12(9)19(15,17)18/h2-5,8,10H,6-7H2,1H3,(H,14,16)
InChIKeyZYXDQESRHPXCGX-UHFFFAOYSA-N
XLogP0.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 46870657) is N-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CN1C(C(=O)NC2CC2)=Cc2ccccc2S1(=O)=O.
What is the InChIKey of N-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is ZYXDQESRHPXCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-15-11(13(16)14-10-6-7-10)8-9-4-2-3-5-12(9)19(15,17)18/h2-5,8,10H,6-7H2,1H3,(H,14,16).
What are the key properties of N-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
N-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 46870657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).