N-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C14H16N2O3S — CID 122192527

IUPACN-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCC1=C(C(=O)NC2CC2)N(C)S(=O)(=O)c2ccccc21
InChIInChI=1S/C14H16N2O3S/c1-9-11-5-3-4-6-12(11)20(18,19)16(2)13(9)14(17)15-10-7-8-10/h3-6,10H,7-8H2,1-2H3,(H,15,17)
InChIKeyYMWYHUHDOLAZGH-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.33
Rot. Bonds2

About N-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

N-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 122192527) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID122192527
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCC1=C(C(=O)NC2CC2)N(C)S(=O)(=O)c2ccccc21
InChIInChI=1S/C14H16N2O3S/c1-9-11-5-3-4-6-12(11)20(18,19)16(2)13(9)14(17)15-10-7-8-10/h3-6,10H,7-8H2,1-2H3,(H,15,17)
InChIKeyYMWYHUHDOLAZGH-UHFFFAOYSA-N
XLogP1.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 122192527) is N-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CC1=C(C(=O)NC2CC2)N(C)S(=O)(=O)c2ccccc21.
What is the InChIKey of N-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is YMWYHUHDOLAZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-11-5-3-4-6-12(11)20(18,19)16(2)13(9)14(17)15-10-7-8-10/h3-6,10H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
N-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,4-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 122192527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).