7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one

C12H16N2OS — CID 116994315

IUPAC7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one
SMILESCC(C)(CN)c1ccc2c(c1)SCC(=O)N2
InChIInChI=1S/C12H16N2OS/c1-12(2,7-13)8-3-4-9-10(5-8)16-6-11(15)14-9/h3-5H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyOJJGFUZGKQUFAC-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.97
Rot. Bonds2

About 7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one

7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one (PubChem CID 116994315) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one
PubChem CID116994315
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one
SMILESCC(C)(CN)c1ccc2c(c1)SCC(=O)N2
InChIInChI=1S/C12H16N2OS/c1-12(2,7-13)8-3-4-9-10(5-8)16-6-11(15)14-9/h3-5H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyOJJGFUZGKQUFAC-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(1-amino-2-methylpropan-2-yl)-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

6-(1,2-diaminopropan-2-yl)-4H-1,4-benzothiazin-3-one
CID 116855616
6-(1,1-difluoroethyl)-4H-1,4-benzothiazin-3-one
CID 116841577
6-(1,1-difluoropropyl)-4H-1,4-benzothiazin-3-one
CID 116841301
7-(1-amino-3-methylbutan-2-yl)-4H-1,4-benzothiazin-3-one
CID 116994407
6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one
CID 82476500
7-(bromomethyl)-4H-1,4-benzothiazin-3-one
CID 116998901
7-(3-methylbutan-2-yl)-4H-1,4-benzothiazin-3-one
CID 163528118
4H-1,4-benzothiazin-3-one;molecular hydrogen;propane
CID 144540149
(3-oxo-4H-1,4-benzothiazin-7-yl)boronic acid
CID 91756091
6-(1-aminopropyl)-4H-1,4-benzothiazin-3-one
CID 82494495
6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one
CID 115132465
6-(1-amino-2-methylpropan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 113422602

Frequently Asked Questions

What is the IUPAC name of 7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one (CID 116994315) is 7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one is CC(C)(CN)c1ccc2c(c1)SCC(=O)N2.
What is the InChIKey of 7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one?
The InChIKey is OJJGFUZGKQUFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-12(2,7-13)8-3-4-9-10(5-8)16-6-11(15)14-9/h3-5H,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of 7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one?
7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one has a molecular weight of 236.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 116994315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).