N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide

C15H19N3O2S — CID 119550692

IUPACN-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)CN1C(=O)CSc2ccccc21)C1CCNC1
InChIInChI=1S/C15H19N3O2S/c1-17(11-6-7-16-8-11)14(19)9-18-12-4-2-3-5-13(12)21-10-15(18)20/h2-5,11,16H,6-10H2,1H3
InChIKeyVNDBHINFOUYWGF-UHFFFAOYSA-N
MW305.40 g/mol
LogP0.95
Rot. Bonds3

About N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide

N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide (PubChem CID 119550692) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide
PubChem CID119550692
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)CN1C(=O)CSc2ccccc21)C1CCNC1
InChIInChI=1S/C15H19N3O2S/c1-17(11-6-7-16-8-11)14(19)9-18-12-4-2-3-5-13(12)21-10-15(18)20/h2-5,11,16H,6-10H2,1H3
InChIKeyVNDBHINFOUYWGF-UHFFFAOYSA-N
XLogP0.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18164909
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534155
3-[methyl-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]propanoic acid
CID 119232485
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 119653152
N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 32757789
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552726
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18196008
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 124613840
[(1S,2R)-2-methoxycyclopentyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 96523603
4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,4-benzothiazin-3-one
CID 120814461
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673524
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55380567

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide?
The IUPAC name of N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide (CID 119550692) is N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide is CN(C(=O)CN1C(=O)CSc2ccccc21)C1CCNC1.
What is the InChIKey of N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide?
The InChIKey is VNDBHINFOUYWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-17(11-6-7-16-8-11)14(19)9-18-12-4-2-3-5-13(12)21-10-15(18)20/h2-5,11,16H,6-10H2,1H3.
What are the key properties of N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide?
N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide has a molecular weight of 305.40 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119550692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).