N-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

C11H15N3O4S — CID 136553407

IUPACN-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCOc1cccc(NC(=O)N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H15N3O4S/c1-18-10-4-2-3-9(12-10)13-11(15)14-5-7-19(16,17)8-6-14/h2-4H,5-8H2,1H3,(H,12,13,15)
InChIKeyGNNVQMDNUZCAKI-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.35
Rot. Bonds2

About N-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 136553407) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID136553407
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC NameN-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCOc1cccc(NC(=O)N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H15N3O4S/c1-18-10-4-2-3-9(12-10)13-11(15)14-5-7-19(16,17)8-6-14/h2-4H,5-8H2,1H3,(H,12,13,15)
InChIKeyGNNVQMDNUZCAKI-UHFFFAOYSA-N
XLogP0.35
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 136553407) is N-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is COc1cccc(NC(=O)N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of N-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is GNNVQMDNUZCAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-18-10-4-2-3-9(12-10)13-11(15)14-5-7-19(16,17)8-6-14/h2-4H,5-8H2,1H3,(H,12,13,15).
What are the key properties of N-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 136553407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).