(NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide

C9H9ClN4O3S — CID 22946101

IUPAC(NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide
SMILESO=[N+]([O-])/N=C1\SCCON1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H9ClN4O3S/c10-8-2-1-7(5-11-8)6-13-9(12-14(15)16)18-4-3-17-13/h1-2,5H,3-4,6H2/b12-9-
InChIKeyWWYQHDRDPFYUGF-XFXZXTDPSA-N
MW288.72 g/mol
LogP1.76
Rot. Bonds3

About (NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide

(NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide (PubChem CID 22946101) has the molecular formula C9H9ClN4O3S and a molecular weight of 288.72 g/mol. Its IUPAC name is (NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide
PubChem CID22946101
Molecular FormulaC9H9ClN4O3S
Molecular Weight288.72 g/mol
Exact Mass288.01
IUPAC Name(NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide
SMILESO=[N+]([O-])/N=C1\SCCON1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H9ClN4O3S/c10-8-2-1-7(5-11-8)6-13-9(12-14(15)16)18-4-3-17-13/h1-2,5H,3-4,6H2/b12-9-
InChIKeyWWYQHDRDPFYUGF-XFXZXTDPSA-N
XLogP1.76
TPSA80.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.72
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide 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 (NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide?
The IUPAC name of (NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide (CID 22946101) is (NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide.
What is the SMILES notation for (NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide is O=[N+]([O-])/N=C1\SCCON1Cc1ccc(Cl)nc1.
What is the InChIKey of (NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide?
The InChIKey is WWYQHDRDPFYUGF-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H9ClN4O3S/c10-8-2-1-7(5-11-8)6-13-9(12-14(15)16)18-4-3-17-13/h1-2,5H,3-4,6H2/b12-9-.
What are the key properties of (NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide?
(NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide has a molecular weight of 288.72 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-[(6-chloro-3-pyridinyl)methyl]-1,4,2-oxathiazinan-3-ylidene]nitramide is sourced from PubChem (CID 22946101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).