N-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine

C8H10N2O4S — CID 117332292

IUPACN-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine
SMILESO=S1(=O)COc2ccc(CNO)cc2N1
InChIInChI=1S/C8H10N2O4S/c11-9-4-6-1-2-8-7(3-6)10-15(12,13)5-14-8/h1-3,9-11H,4-5H2
InChIKeyHACGYISQWGOGCC-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.26
Rot. Bonds2

About N-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine

N-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine (PubChem CID 117332292) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is N-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine
PubChem CID117332292
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC NameN-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine
SMILESO=S1(=O)COc2ccc(CNO)cc2N1
InChIInChI=1S/C8H10N2O4S/c11-9-4-6-1-2-8-7(3-6)10-15(12,13)5-14-8/h1-3,9-11H,4-5H2
InChIKeyHACGYISQWGOGCC-UHFFFAOYSA-N
XLogP0.26
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)acetic acid
CID 117359245
4-(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)butan-1-amine
CID 117394420
N-(1,3-benzoxathiol-5-ylmethyl)hydroxylamine
CID 117279627
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 66716661
6-[(4-methylanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075325
6-[(2-methylprop-2-enylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075841
7-[(cyclobutylamino)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82498132
2,2-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110738388
3,3-dimethyl-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]butanamide
CID 110783804
6-[[(1-methylcyclopropyl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075790

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine?
The IUPAC name of N-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine (CID 117332292) is N-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine is O=S1(=O)COc2ccc(CNO)cc2N1.
What is the InChIKey of N-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine?
The InChIKey is HACGYISQWGOGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c11-9-4-6-1-2-8-7(3-6)10-15(12,13)5-14-8/h1-3,9-11H,4-5H2.
What are the key properties of N-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine?
N-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine has a molecular weight of 230.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dioxo-1H-4,2λ6,1-benzoxathiazin-7-yl)methyl]hydroxylamine is sourced from PubChem (CID 117332292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).