6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one

C9H12N4OS — CID 116947486

IUPAC6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one
SMILESNNC(N)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C9H12N4OS/c10-9(13-11)5-1-2-7-6(3-5)12-8(14)4-15-7/h1-3,9,13H,4,10-11H2,(H,12,14)
InChIKeyOENMFBDCEDKESC-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.15
Rot. Bonds2

About 6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one

6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one (PubChem CID 116947486) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one
PubChem CID116947486
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one
SMILESNNC(N)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C9H12N4OS/c10-9(13-11)5-1-2-7-6(3-5)12-8(14)4-15-7/h1-3,9,13H,4,10-11H2,(H,12,14)
InChIKeyOENMFBDCEDKESC-UHFFFAOYSA-N
XLogP0.15
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[amino(sulfanyl)methyl]-4H-1,4-benzothiazin-3-one
CID 116939513
6-[amino(hydroxy)methyl]-4H-1,4-benzothiazin-3-one
CID 116939665
6-(1-amino-2-sulfanylethyl)-4H-1,4-benzothiazin-3-one
CID 116830535
6-(1-aminopropyl)-4H-1,4-benzothiazin-3-one
CID 82494495
6-(1,4-diaminopentyl)-4H-1,4-benzothiazin-3-one
CID 116934368
6-(4-aminobutan-2-yl)-4H-1,4-benzothiazin-3-one
CID 82496859
6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one
CID 116857284
6-(1-bromo-2-oxopropyl)-4H-1,4-benzothiazin-3-one
CID 116859817
6-[1-hydroxy-3-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one
CID 116835522
6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one
CID 115260659
6-iodo-4H-1,4-benzothiazin-3-one
CID 90281504
6-[(2-aminopropylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 115196564

Frequently Asked Questions

What is the IUPAC name of 6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one (CID 116947486) is 6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one is NNC(N)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is OENMFBDCEDKESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c10-9(13-11)5-1-2-7-6(3-5)12-8(14)4-15-7/h1-3,9,13H,4,10-11H2,(H,12,14).
What are the key properties of 6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one?
6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 224.29 g/mol, XLogP of 0.15, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 116947486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).