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

C10H14N4OS — CID 115260659

IUPAC6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one
SMILESCN(CNN)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C10H14N4OS/c1-14(6-12-11)7-2-3-9-8(4-7)13-10(15)5-16-9/h2-4,12H,5-6,11H2,1H3,(H,13,15)
InChIKeyZPWAQWNDVVQKKQ-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.59
Rot. Bonds3

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

6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one (PubChem CID 115260659) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one
PubChem CID115260659
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one
SMILESCN(CNN)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C10H14N4OS/c1-14(6-12-11)7-2-3-9-8(4-7)13-10(15)5-16-9/h2-4,12H,5-6,11H2,1H3,(H,13,15)
InChIKeyZPWAQWNDVVQKKQ-UHFFFAOYSA-N
XLogP0.59
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.59
H-Bond Donors ≤ 53
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-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one
CID 115226717
6-[(3-amino-2-methylpropyl)-methylamino]-4H-1,4-benzothiazin-3-one
CID 115198412
4-[methyl-(3-oxo-4H-1,4-benzothiazin-6-yl)amino]butanenitrile
CID 115231603
6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one
CID 116857284
6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one
CID 116947486
6-(1-aminopropyl)-4H-1,4-benzothiazin-3-one
CID 82494495
6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one
CID 115259622
N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 134023514
N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771553
6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079
1-methyl-1-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115168419
6-(4-aminobutan-2-yl)-4H-1,4-benzothiazin-3-one
CID 82496859

Frequently Asked Questions

What is the IUPAC name of 6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one (CID 115260659) is 6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one is CN(CNN)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one?
The InChIKey is ZPWAQWNDVVQKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-14(6-12-11)7-2-3-9-8(4-7)13-10(15)5-16-9/h2-4,12H,5-6,11H2,1H3,(H,13,15).
What are the key properties of 6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one?
6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one has a molecular weight of 238.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 115260659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).