2,2-dimethyl-4H-1,4-benzothiazin-3-one

C10H11NOS — CID 13293492

IUPAC2,2-dimethyl-4H-1,4-benzothiazin-3-one
SMILESCC1(C)Sc2ccccc2NC1=O
InChIInChI=1S/C10H11NOS/c1-10(2)9(12)11-7-5-3-4-6-8(7)13-10/h3-6H,1-2H3,(H,11,12)
InChIKeyKQXBYDQIOLXEDZ-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.51
Rot. Bonds

About 2,2-dimethyl-4H-1,4-benzothiazin-3-one

2,2-dimethyl-4H-1,4-benzothiazin-3-one (PubChem CID 13293492) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2,2-dimethyl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-4H-1,4-benzothiazin-3-one
PubChem CID13293492
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2,2-dimethyl-4H-1,4-benzothiazin-3-one
SMILESCC1(C)Sc2ccccc2NC1=O
InChIInChI=1S/C10H11NOS/c1-10(2)9(12)11-7-5-3-4-6-8(7)13-10/h3-6H,1-2H3,(H,11,12)
InChIKeyKQXBYDQIOLXEDZ-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-4H-1,4-benzothiazin-3-one 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 2,2-dimethyl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2,2-dimethyl-4H-1,4-benzothiazin-3-one (CID 13293492) is 2,2-dimethyl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2,2-dimethyl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2,2-dimethyl-4H-1,4-benzothiazin-3-one is CC1(C)Sc2ccccc2NC1=O.
What is the InChIKey of 2,2-dimethyl-4H-1,4-benzothiazin-3-one?
The InChIKey is KQXBYDQIOLXEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-10(2)9(12)11-7-5-3-4-6-8(7)13-10/h3-6H,1-2H3,(H,11,12).
What are the key properties of 2,2-dimethyl-4H-1,4-benzothiazin-3-one?
2,2-dimethyl-4H-1,4-benzothiazin-3-one has a molecular weight of 193.27 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 13293492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).