N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine

C12H18N4O2S — CID 135400946

IUPACN-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine
SMILESCC(/N=C1\Nc2ccncc2S(=O)(=O)N1)C(C)(C)C
InChIInChI=1S/C12H18N4O2S/c1-8(12(2,3)4)14-11-15-9-5-6-13-7-10(9)19(17,18)16-11/h5-8H,1-4H3,(H2,14,15,16)
InChIKeyJDECJLJDVZACKV-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.58
Rot. Bonds1

About N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine

N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine (PubChem CID 135400946) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine
PubChem CID135400946
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine
SMILESCC(/N=C1\Nc2ccncc2S(=O)(=O)N1)C(C)(C)C
InChIInChI=1S/C12H18N4O2S/c1-8(12(2,3)4)14-11-15-9-5-6-13-7-10(9)19(17,18)16-11/h5-8H,1-4H3,(H2,14,15,16)
InChIKeyJDECJLJDVZACKV-UHFFFAOYSA-N
XLogP1.58
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine 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

7-fluoro-1,1-dioxo-N-(1-propan-2-ylcyclopropyl)-4H-1λ6,2,4-benzothiadiazin-3-imine
CID 171526846
7-chloro-N-(5-methylhexan-2-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine
CID 135845252
3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 119084853
3,7-diazabicyclo[4.1.0]hepta-1(6),2,4-triene
CID 139787035
1,1-dioxo-N-prop-2-enyl-4H-1λ6,2,4-benzothiadiazin-3-imine
CID 135452016
4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione
CID 10751888
3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 67644801
3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10515551
4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10012589
4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10845683
3-tert-butyl-4-propan-2-ylpyridine
CID 59734411
N-(2-methylpropoxy)-1,1-dioxo-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazin-2-amine
CID 139826107

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine (CID 135400946) is N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine is CC(/N=C1\Nc2ccncc2S(=O)(=O)N1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine?
The InChIKey is JDECJLJDVZACKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-8(12(2,3)4)14-11-15-9-5-6-13-7-10(9)19(17,18)16-11/h5-8H,1-4H3,(H2,14,15,16).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine?
N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine has a molecular weight of 282.37 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine is sourced from PubChem (CID 135400946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).