N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C16H23N3O2S — CID 119653152

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCN(CC(C)(C)CN)C(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C16H23N3O2S/c1-16(2,10-17)11-18(3)14(20)8-19-12-6-4-5-7-13(12)22-9-15(19)21/h4-7H,8-11,17H2,1-3H3
InChIKeyVFOHOACFEXRZAA-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.57
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 119653152) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID119653152
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCN(CC(C)(C)CN)C(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C16H23N3O2S/c1-16(2,10-17)11-18(3)14(20)8-19-12-6-4-5-7-13(12)22-9-15(19)21/h4-7H,8-11,17H2,1-3H3
InChIKeyVFOHOACFEXRZAA-UHFFFAOYSA-N
XLogP1.57
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]propanoic acid
CID 119232485
N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 32757789
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18196008
N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 119655397
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 38881217
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673524
N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide
CID 119550692
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18093717
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 17438535
4-(2-aminoethyl)-1,4-benzothiazin-3-one
CID 29021484
2-(3-oxo-1,4-benzothiazin-4-yl)-N-prop-2-ynylacetamide
CID 18110081
N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 120508487

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 119653152) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is CN(CC(C)(C)CN)C(=O)CN1C(=O)CSc2ccccc21.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is VFOHOACFEXRZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-16(2,10-17)11-18(3)14(20)8-19-12-6-4-5-7-13(12)22-9-15(19)21/h4-7H,8-11,17H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 321.45 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 119653152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).