6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one

C10H10N2O2S — CID 82494432

IUPAC6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one
SMILESNCC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C10H10N2O2S/c11-4-8(13)6-1-2-9-7(3-6)12-10(14)5-15-9/h1-3H,4-5,11H2,(H,12,14)
InChIKeyZDMILNOMXNVCSC-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.87
Rot. Bonds2

About 6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one

6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one (PubChem CID 82494432) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one
PubChem CID82494432
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one
SMILESNCC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C10H10N2O2S/c11-4-8(13)6-1-2-9-7(3-6)12-10(14)5-15-9/h1-3H,4-5,11H2,(H,12,14)
InChIKeyZDMILNOMXNVCSC-UHFFFAOYSA-N
XLogP0.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorobutanoyl)-4H-1,4-benzothiazin-3-one
CID 15590122
6-benzoyl-4H-1,4-benzothiazin-3-one
CID 11958353
N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 20967217
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17412810
N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 134023514
N-[3-(aminomethyl)pentan-3-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119568654
cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7239139
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
N-(3-amino-2-hydroxy-3-oxopropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 107260991
(2-methylphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16577438
1-[[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449165
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one (CID 82494432) is 6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one is NCC(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one?
The InChIKey is ZDMILNOMXNVCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c11-4-8(13)6-1-2-9-7(3-6)12-10(14)5-15-9/h1-3H,4-5,11H2,(H,12,14).
What are the key properties of 6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one?
6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one has a molecular weight of 222.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 82494432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).