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

C11H15N3OS — CID 115226717

IUPAC6-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one
SMILESCNCN(C)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H15N3OS/c1-12-7-14(2)8-3-4-10-9(5-8)13-11(15)6-16-10/h3-5,12H,6-7H2,1-2H3,(H,13,15)
InChIKeyZHPOAMUPBSQOOP-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.34
Rot. Bonds3

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

6-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one (PubChem CID 115226717) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 6-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one
PubChem CID115226717
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name6-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one
SMILESCNCN(C)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H15N3OS/c1-12-7-14(2)8-3-4-10-9(5-8)13-11(15)6-16-10/h3-5,12H,6-7H2,1-2H3,(H,13,15)
InChIKeyZHPOAMUPBSQOOP-UHFFFAOYSA-N
XLogP1.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one
CID 115260659
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-[1-hydroxy-3-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one
CID 116835522
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
6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one
CID 115132465
6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one
CID 82476500
N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 20967217
6-(1-aminopropyl)-4H-1,4-benzothiazin-3-one
CID 82494495

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one (CID 115226717) is 6-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one is CNCN(C)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 6-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one?
The InChIKey is ZHPOAMUPBSQOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-12-7-14(2)8-3-4-10-9(5-8)13-11(15)6-16-10/h3-5,12H,6-7H2,1-2H3,(H,13,15).
What are the key properties of 6-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one?
6-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one has a molecular weight of 237.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 115226717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).