N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride

C14H20ClN3O2S — CID 119430219

IUPACN-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
SMILESCNCCCNC(=O)CN1C(=O)CSc2ccccc21.Cl
InChIInChI=1S/C14H19N3O2S.ClH/c1-15-7-4-8-16-13(18)9-17-11-5-2-3-6-12(11)20-10-14(17)19;/h2-3,5-6,15H,4,7-10H2,1H3,(H,16,18);1H
InChIKeyAKODGMUOSWWEMU-UHFFFAOYSA-N
MW329.85 g/mol
LogP1.27
Rot. Bonds6

About N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride

N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride (PubChem CID 119430219) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
PubChem CID119430219
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC NameN-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
SMILESCNCCCNC(=O)CN1C(=O)CSc2ccccc21.Cl
InChIInChI=1S/C14H19N3O2S.ClH/c1-15-7-4-8-16-13(18)9-17-11-5-2-3-6-12(11)20-10-14(17)19;/h2-3,5-6,15H,4,7-10H2,1H3,(H,16,18);1H
InChIKeyAKODGMUOSWWEMU-UHFFFAOYSA-N
XLogP1.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride (CID 119430219) is N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride is CNCCCNC(=O)CN1C(=O)CSc2ccccc21.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
The InChIKey is AKODGMUOSWWEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S.ClH/c1-15-7-4-8-16-13(18)9-17-11-5-2-3-6-12(11)20-10-14(17)19;/h2-3,5-6,15H,4,7-10H2,1H3,(H,16,18);1H.
What are the key properties of N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119430219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).