(E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine

C10H13N3O5S — CID 6842999

💊View drug profile → nifurtimox
IUPAC(E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine
SMILESCC1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+
InChIKeyARFHIAQFJWUCFH-IZZDOVSWSA-N
MW287.30 g/mol
LogP0.64
Rot. Bonds3

About (E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine

(E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine (PubChem CID 6842999) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is (E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine.

Molecular Properties

Compound Name(E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine
PubChem CID6842999
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name(E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine
SMILESCC1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+
InChIKeyARFHIAQFJWUCFH-IZZDOVSWSA-N
XLogP0.64
TPSA106.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine 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

N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitro-2-furanyl)methanimine
CID 31772
3-{[(5-Nitrofuran-2-yl)methylidene]amino}-1,3-thiazolidin-2-one
CID 221597
(Z)-N-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-1-(5-nitrofuran-2-yl)methanimine
CID 9604980
N-cyclohexyl-3-methyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-oxothiomorpholine-3-carboxamide
CID 137635676
N,N-Dimethyl-N'-[1-(5-nitro-furan-2-yl)-meth-(E)-ylidene]-hydrazine
CID 5924946
3-[(5-Nitro-2-furyl)methyleneamino]thiazolidin-2-one
CID 9568086
trifluoromethyl (2Z)-N-morpholin-4-yl-5-nitrofuran-2-carboximidothioate
CID 178251765
N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine
CID 2732920
N-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]methanamine
CID 5702498
(R)-Nifurtimox
CID 44586881
(Z)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine
CID 6178305
3-[(5-Nitrofuran-2-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2645583

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine?
The IUPAC name of (E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine (CID 6842999) is (E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine.
What is the SMILES notation for (E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine?
The canonical SMILES for (E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine is CC1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine?
The InChIKey is ARFHIAQFJWUCFH-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+.
What are the key properties of (E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine?
(E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine has a molecular weight of 287.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine is sourced from PubChem (CID 6842999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).