N-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide

C13H16N2O2S — CID 115191337

IUPACN-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide
SMILESCC(=O)N(C)CCc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H16N2O2S/c1-9(16)15(2)6-5-10-3-4-12-11(7-10)14-13(17)8-18-12/h3-4,7H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyKPDSMTURPBZWDX-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.75
Rot. Bonds3

About N-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide

N-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide (PubChem CID 115191337) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide
PubChem CID115191337
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide
SMILESCC(=O)N(C)CCc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H16N2O2S/c1-9(16)15(2)6-5-10-3-4-12-11(7-10)14-13(17)8-18-12/h3-4,7H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyKPDSMTURPBZWDX-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide?
The IUPAC name of N-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide (CID 115191337) is N-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide is CC(=O)N(C)CCc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide?
The InChIKey is KPDSMTURPBZWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(16)15(2)6-5-10-3-4-12-11(7-10)14-13(17)8-18-12/h3-4,7H,5-6,8H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide?
N-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide is sourced from PubChem (CID 115191337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).