N-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide

C6H8N4O4S — CID 173117117

IUPACN-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(N=C1NOCCO1)c1cn[nH]c1
InChIInChI=1S/C6H8N4O4S/c11-15(12,5-3-7-8-4-5)10-6-9-14-2-1-13-6/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChIKeyYOCVKJRLODPDRO-UHFFFAOYSA-N
MW232.22 g/mol
LogP-0.99
Rot. Bonds2

About N-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide

N-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide (PubChem CID 173117117) has the molecular formula C6H8N4O4S and a molecular weight of 232.22 g/mol. Its IUPAC name is N-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide
PubChem CID173117117
Molecular FormulaC6H8N4O4S
Molecular Weight232.22 g/mol
Exact Mass232.03
IUPAC NameN-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(N=C1NOCCO1)c1cn[nH]c1
InChIInChI=1S/C6H8N4O4S/c11-15(12,5-3-7-8-4-5)10-6-9-14-2-1-13-6/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChIKeyYOCVKJRLODPDRO-UHFFFAOYSA-N
XLogP-0.99
TPSA105.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide 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-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide (CID 173117117) is N-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide is O=S(=O)(N=C1NOCCO1)c1cn[nH]c1.
What is the InChIKey of N-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide?
The InChIKey is YOCVKJRLODPDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O4S/c11-15(12,5-3-7-8-4-5)10-6-9-14-2-1-13-6/h3-4H,1-2H2,(H,7,8)(H,9,10).
What are the key properties of N-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide?
N-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide has a molecular weight of 232.22 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 173117117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).