(6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide

C12H11N3O4S — CID 943900

IUPAC(6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILESNC1=NC(=O)C[C@H](C(=O)Nc2ccc3c(c2)OCO3)S1
InChIInChI=1S/C12H11N3O4S/c13-12-15-10(16)4-9(20-12)11(17)14-6-1-2-7-8(3-6)19-5-18-7/h1-3,9H,4-5H2,(H,14,17)(H2,13,15,16)/t9-/m1/s1
InChIKeyIXBYTMLRAIFZPJ-SECBINFHSA-N
MW293.30 g/mol
LogP0.70
Rot. Bonds2

About (6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide

(6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide (PubChem CID 943900) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is (6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
PubChem CID943900
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name(6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILESNC1=NC(=O)C[C@H](C(=O)Nc2ccc3c(c2)OCO3)S1
InChIInChI=1S/C12H11N3O4S/c13-12-15-10(16)4-9(20-12)11(17)14-6-1-2-7-8(3-6)19-5-18-7/h1-3,9H,4-5H2,(H,14,17)(H2,13,15,16)/t9-/m1/s1
InChIKeyIXBYTMLRAIFZPJ-SECBINFHSA-N
XLogP0.70
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide 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

(6R)-2-amino-N-(3,4-dimethoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
CID 744410
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 2897686
N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135399457
2-(1,3-benzodioxol-5-ylimino)-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 5096365
5-(1,3-benzodioxol-5-ylcarbamoyl)thiophene-2-carboxylic acid
CID 43414348
4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide
CID 79210516
N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide
CID 78270217
5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide
CID 77046165
3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119668947
N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 4774594
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
(3R)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2458926

Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The IUPAC name of (6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide (CID 943900) is (6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide.
What is the SMILES notation for (6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The canonical SMILES for (6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide is NC1=NC(=O)C[C@H](C(=O)Nc2ccc3c(c2)OCO3)S1.
What is the InChIKey of (6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The InChIKey is IXBYTMLRAIFZPJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H11N3O4S/c13-12-15-10(16)4-9(20-12)11(17)14-6-1-2-7-8(3-6)19-5-18-7/h1-3,9H,4-5H2,(H,14,17)(H2,13,15,16)/t9-/m1/s1.
What are the key properties of (6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
(6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide is sourced from PubChem (CID 943900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).