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

C13H16N2O3S — CID 46870656

IUPAC2-methyl-1,1-dioxo-N-propyl-1λ6,2-benzothiazine-3-carboxamide
SMILESCCCNC(=O)C1=Cc2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C13H16N2O3S/c1-3-8-14-13(16)11-9-10-6-4-5-7-12(10)19(17,18)15(11)2/h4-7,9H,3,8H2,1-2H3,(H,14,16)
InChIKeyIOQVQKIIASBUDH-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.19
Rot. Bonds3

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

2-methyl-1,1-dioxo-N-propyl-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 46870656) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-methyl-1,1-dioxo-N-propyl-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1,1-dioxo-N-propyl-1λ6,2-benzothiazine-3-carboxamide
PubChem CID46870656
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-methyl-1,1-dioxo-N-propyl-1λ6,2-benzothiazine-3-carboxamide
SMILESCCCNC(=O)C1=Cc2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C13H16N2O3S/c1-3-8-14-13(16)11-9-10-6-4-5-7-12(10)19(17,18)15(11)2/h4-7,9H,3,8H2,1-2H3,(H,14,16)
InChIKeyIOQVQKIIASBUDH-UHFFFAOYSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-dioxo-N-propyl-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 2-methyl-1,1-dioxo-N-propyl-1λ6,2-benzothiazine-3-carboxamide (CID 46870656) is 2-methyl-1,1-dioxo-N-propyl-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 2-methyl-1,1-dioxo-N-propyl-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 2-methyl-1,1-dioxo-N-propyl-1λ6,2-benzothiazine-3-carboxamide is CCCNC(=O)C1=Cc2ccccc2S(=O)(=O)N1C.
What is the InChIKey of 2-methyl-1,1-dioxo-N-propyl-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is IOQVQKIIASBUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-3-8-14-13(16)11-9-10-6-4-5-7-12(10)19(17,18)15(11)2/h4-7,9H,3,8H2,1-2H3,(H,14,16).
What are the key properties of 2-methyl-1,1-dioxo-N-propyl-1λ6,2-benzothiazine-3-carboxamide?
2-methyl-1,1-dioxo-N-propyl-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.19, 3 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-propyl-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 46870656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).