(4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone

C16H14N2O3S — CID 975174

IUPAC(4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone
SMILESCN1C(C(=O)c2ccccc2)=C(N)c2ccccc2S1(=O)=O
InChIInChI=1S/C16H14N2O3S/c1-18-15(16(19)11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)22(18,20)21/h2-10H,17H2,1H3
InChIKeyYCCNOWQXRLDYBC-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.83
Rot. Bonds2

About (4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone

(4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone (PubChem CID 975174) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is (4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone
PubChem CID975174
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name(4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone
SMILESCN1C(C(=O)c2ccccc2)=C(N)c2ccccc2S1(=O)=O
InChIInChI=1S/C16H14N2O3S/c1-18-15(16(19)11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)22(18,20)21/h2-10H,17H2,1H3
InChIKeyYCCNOWQXRLDYBC-UHFFFAOYSA-N
XLogP1.83
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone 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 (4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone?
The IUPAC name of (4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone (CID 975174) is (4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone.
What is the SMILES notation for (4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone?
The canonical SMILES for (4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone is CN1C(C(=O)c2ccccc2)=C(N)c2ccccc2S1(=O)=O.
What is the InChIKey of (4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone?
The InChIKey is YCCNOWQXRLDYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-18-15(16(19)11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)22(18,20)21/h2-10H,17H2,1H3.
What are the key properties of (4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone?
(4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone has a molecular weight of 314.37 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-3-yl)-phenylmethanone is sourced from PubChem (CID 975174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).