N-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride

C11H17ClN4O3S — CID 119500598

IUPACN-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12.Cl
InChIInChI=1S/C11H16N4O3S.ClH/c1-12-4-5-13-11(16)9-3-2-6-15-7-8-19(17,18)14-10(9)15;/h2-3,6,12H,4-5,7-8H2,1H3,(H,13,16);1H
InChIKeyDENZLKXQIMFMTK-UHFFFAOYSA-N
MW320.80 g/mol
LogP-0.76
Rot. Bonds4

About N-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride

N-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride (PubChem CID 119500598) has the molecular formula C11H17ClN4O3S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride
PubChem CID119500598
Molecular FormulaC11H17ClN4O3S
Molecular Weight320.80 g/mol
Exact Mass320.07
IUPAC NameN-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12.Cl
InChIInChI=1S/C11H16N4O3S.ClH/c1-12-4-5-13-11(16)9-3-2-6-15-7-8-19(17,18)14-10(9)15;/h2-3,6,12H,4-5,7-8H2,1H3,(H,13,16);1H
InChIKeyDENZLKXQIMFMTK-UHFFFAOYSA-N
XLogP-0.76
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride (CID 119500598) is N-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride is CNCCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride?
The InChIKey is DENZLKXQIMFMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S.ClH/c1-12-4-5-13-11(16)9-3-2-6-15-7-8-19(17,18)14-10(9)15;/h2-3,6,12H,4-5,7-8H2,1H3,(H,13,16);1H.
What are the key properties of N-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride?
N-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride has a molecular weight of 320.80 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride is sourced from PubChem (CID 119500598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).