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

C10H12N2OS — CID 67129980

IUPAC6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one
SMILESCC1(C)Sc2ccc(N)cc2NC1=O
InChIInChI=1S/C10H12N2OS/c1-10(2)9(13)12-7-5-6(11)3-4-8(7)14-10/h3-5H,11H2,1-2H3,(H,12,13)
InChIKeyVARDJSLEKBPNNG-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.09
Rot. Bonds

About 6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one

6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one (PubChem CID 67129980) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one
PubChem CID67129980
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one
SMILESCC1(C)Sc2ccc(N)cc2NC1=O
InChIInChI=1S/C10H12N2OS/c1-10(2)9(13)12-7-5-6(11)3-4-8(7)14-10/h3-5H,11H2,1-2H3,(H,12,13)
InChIKeyVARDJSLEKBPNNG-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-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

Related Compounds

4H-1,4-Benzothiazin-3-one
CID 21396
Ethyl N-(10H-phenothiazin-2-yl)carbamate
CID 652628
2-(3,4-Dihydro-3-Oxo-2h-Benzo[B][1,4]Thiazin-2-Yl)-N-Hydroxyacetamide
CID 448475
2-Acetamidophenyl phenyl sulfide
CID 365383
2,2-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-6-amine
CID 7084759
Acetamide, N-(4-(phenylthio)phenyl)-
CID 148713
S-(4-acetamidophenyl) ethanethioate
CID 247471
N-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide
CID 2778865
N-Methoxy-2-(3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl)-acetamide
CID 11345758
N-Hydroxy-N-(3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-ylmethyl)-acetamide
CID 44283303
3-Amino-1-phenothiazin-10-yl-propan-1-one hydrochloride
CID 23724315
2,2-Dimethyl-2H-1,4-benzothiazin-3(4H)-one
CID 13293492

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one (CID 67129980) is 6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one is CC1(C)Sc2ccc(N)cc2NC1=O.
What is the InChIKey of 6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one?
The InChIKey is VARDJSLEKBPNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-10(2)9(13)12-7-5-6(11)3-4-8(7)14-10/h3-5H,11H2,1-2H3,(H,12,13).
What are the key properties of 6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one?
6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one has a molecular weight of 208.29 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 67129980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).