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

C12H14N2O3S — CID 46870655

IUPACN,N,2-trimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCN(C)C(=O)C1=Cc2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C12H14N2O3S/c1-13(2)12(15)10-8-9-6-4-5-7-11(9)18(16,17)14(10)3/h4-8H,1-3H3
InChIKeyFREOPDSCJJEOAW-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.75
Rot. Bonds1

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

N,N,2-trimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 46870655) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N,N,2-trimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID46870655
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN,N,2-trimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCN(C)C(=O)C1=Cc2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C12H14N2O3S/c1-13(2)12(15)10-8-9-6-4-5-7-11(9)18(16,17)14(10)3/h4-8H,1-3H3
InChIKeyFREOPDSCJJEOAW-UHFFFAOYSA-N
XLogP0.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N,N,2-trimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 46870655) is N,N,2-trimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N,N,2-trimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CN(C)C(=O)C1=Cc2ccccc2S(=O)(=O)N1C.
What is the InChIKey of N,N,2-trimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is FREOPDSCJJEOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-13(2)12(15)10-8-9-6-4-5-7-11(9)18(16,17)14(10)3/h4-8H,1-3H3.
What are the key properties of N,N,2-trimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
N,N,2-trimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 46870655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).