(NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine

C9H9N5O3S — CID 135433802

IUPAC(NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine
SMILES[H]/N=C1C(=N\O)\C(N)=NS(=O)(=O)N\1c1ccccc1
InChIInChI=1S/C9H9N5O3S/c10-8-7(12-15)9(11)14(18(16,17)13-8)6-4-2-1-3-5-6/h1-5,11,15H,(H2,10,13)/b11-9+,12-7+
InChIKeyZGXNVZRJKUFMCB-DMXQEXBGSA-N
MW267.27 g/mol
LogP-0.08
Rot. Bonds1

About (NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine

(NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine (PubChem CID 135433802) has the molecular formula C9H9N5O3S and a molecular weight of 267.27 g/mol. Its IUPAC name is (NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine
PubChem CID135433802
Molecular FormulaC9H9N5O3S
Molecular Weight267.27 g/mol
Exact Mass267.04
IUPAC Name(NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine
SMILES[H]/N=C1C(=N\O)\C(N)=NS(=O)(=O)N\1c1ccccc1
InChIInChI=1S/C9H9N5O3S/c10-8-7(12-15)9(11)14(18(16,17)13-8)6-4-2-1-3-5-6/h1-5,11,15H,(H2,10,13)/b11-9+,12-7+
InChIKeyZGXNVZRJKUFMCB-DMXQEXBGSA-N
XLogP-0.08
TPSA132.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine (CID 135433802) is (NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine is [H]/N=C1C(=N\O)\C(N)=NS(=O)(=O)N\1c1ccccc1.
What is the InChIKey of (NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine?
The InChIKey is ZGXNVZRJKUFMCB-DMXQEXBGSA-N. The full InChI is InChI=1S/C9H9N5O3S/c10-8-7(12-15)9(11)14(18(16,17)13-8)6-4-2-1-3-5-6/h1-5,11,15H,(H2,10,13)/b11-9+,12-7+.
What are the key properties of (NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine?
(NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine has a molecular weight of 267.27 g/mol, XLogP of -0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine is sourced from PubChem (CID 135433802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).