4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one

C11H15N3OS — CID 115195267

IUPAC4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one
SMILESCNc1ccc2c(c1)N(CCN)C(=O)CS2
InChIInChI=1S/C11H15N3OS/c1-13-8-2-3-10-9(6-8)14(5-4-12)11(15)7-16-10/h2-3,6,13H,4-5,7,12H2,1H3
InChIKeyOWAVPFVGMVMNPN-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.13
Rot. Bonds3

About 4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one

4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one (PubChem CID 115195267) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one
PubChem CID115195267
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one
SMILESCNc1ccc2c(c1)N(CCN)C(=O)CS2
InChIInChI=1S/C11H15N3OS/c1-13-8-2-3-10-9(6-8)14(5-4-12)11(15)7-16-10/h2-3,6,13H,4-5,7,12H2,1H3
InChIKeyOWAVPFVGMVMNPN-UHFFFAOYSA-N
XLogP1.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one 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

4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one
CID 115259339
4-(2-aminoethyl)-1,4-benzothiazin-3-one
CID 29021484
4-octyl-6-(octylamino)-1,4-benzothiazin-3-one
CID 10949499
4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one
CID 115140553
4-[2-(2-aminoethoxy)ethyl]-1,4-benzothiazin-3-one
CID 84616470
methyl 3-(6-amino-3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 115232222
6-amino-4-(3-chloropropyl)-1,4-benzothiazin-3-one
CID 115215433
6-(aminomethyl)-4-(sulfanylmethyl)-1,4-benzothiazin-3-one
CID 115227964
6-(aminomethyl)-4-(chloromethyl)-1,4-benzothiazin-3-one
CID 115263062
N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide
CID 53213308
6-bromo-4-ethyl-1,4-benzothiazin-3-one
CID 84615722
2-[6-(2-aminoethyl)-3-oxo-1,4-benzothiazin-4-yl]acetonitrile
CID 115131264

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one?
The IUPAC name of 4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one (CID 115195267) is 4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one?
The canonical SMILES for 4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one is CNc1ccc2c(c1)N(CCN)C(=O)CS2.
What is the InChIKey of 4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one?
The InChIKey is OWAVPFVGMVMNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-13-8-2-3-10-9(6-8)14(5-4-12)11(15)7-16-10/h2-3,6,13H,4-5,7,12H2,1H3.
What are the key properties of 4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one?
4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one has a molecular weight of 237.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one is sourced from PubChem (CID 115195267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).