4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one

C12H16N2OS — CID 117043792

IUPAC4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one
SMILESCNCCc1ccc2c(c1)N(C)C(=O)CS2
InChIInChI=1S/C12H16N2OS/c1-13-6-5-9-3-4-11-10(7-9)14(2)12(15)8-16-11/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyOPXPHSCGVPSVMC-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.52
Rot. Bonds3

About 4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one

4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one (PubChem CID 117043792) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one
PubChem CID117043792
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one
SMILESCNCCc1ccc2c(c1)N(C)C(=O)CS2
InChIInChI=1S/C12H16N2OS/c1-13-6-5-9-3-4-11-10(7-9)14(2)12(15)8-16-11/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyOPXPHSCGVPSVMC-UHFFFAOYSA-N
XLogP1.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate
CID 4116383
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
6-[2-(methylamino)ethyl]-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 117044162
1-methyl-5-[2-(2-sulfanylethylamino)ethyl]-3H-indol-2-one
CID 115224218
4-(2-aminoethyl)-6-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
CID 115195526
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
2-[6-(2-aminoethyl)-3-oxo-1,4-benzothiazin-4-yl]acetonitrile
CID 115131264
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid
CID 115141454
1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576
1-methyl-6-(methylaminomethyl)-3H-indol-2-one
CID 82603428
1-(2-amino-2-methylpropyl)-5-[2-(methylamino)ethyl]-3H-indol-2-one
CID 115136265

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one?
The IUPAC name of 4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one (CID 117043792) is 4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one?
The canonical SMILES for 4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one is CNCCc1ccc2c(c1)N(C)C(=O)CS2.
What is the InChIKey of 4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one?
The InChIKey is OPXPHSCGVPSVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-13-6-5-9-3-4-11-10(7-9)14(2)12(15)8-16-11/h3-4,7,13H,5-6,8H2,1-2H3.
What are the key properties of 4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one?
4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one has a molecular weight of 236.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-(methylamino)ethyl]-1,4-benzothiazin-3-one is sourced from PubChem (CID 117043792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).