6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one

C13H19N3OS — CID 115132465

IUPAC6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one
SMILESCNCC(C)(C)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H19N3OS/c1-13(2,8-14-3)16-9-4-5-11-10(6-9)15-12(17)7-18-11/h4-6,14,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyMGJZNZYBKCLTBH-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.14
Rot. Bonds4

About 6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one

6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one (PubChem CID 115132465) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one
PubChem CID115132465
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one
SMILESCNCC(C)(C)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H19N3OS/c1-13(2,8-14-3)16-9-4-5-11-10(6-9)15-12(17)7-18-11/h4-6,14,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyMGJZNZYBKCLTBH-UHFFFAOYSA-N
XLogP2.14
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one with MolForge

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Related Compounds

6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079
6-[(3-hydroxy-2,2-dimethylpropyl)amino]-4H-1,4-benzothiazin-3-one
CID 81411832
6-(sulfanylmethylamino)-4H-1,4-benzothiazin-3-one
CID 115227650
6-(prop-2-ynylamino)-4H-1,4-benzothiazin-3-one
CID 60680899
1-(2,2-dimethylpropyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)urea
CID 110774699
2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 55122169
6-(octylamino)-4H-1,4-benzothiazin-3-one
CID 43723115
6-(hexylamino)-4H-1,4-benzothiazin-3-one
CID 43229078
6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one
CID 82476500
2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 60867171
6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 103388562
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one (CID 115132465) is 6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one is CNCC(C)(C)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one?
The InChIKey is MGJZNZYBKCLTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-13(2,8-14-3)16-9-4-5-11-10(6-9)15-12(17)7-18-11/h4-6,14,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one?
6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one has a molecular weight of 265.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 115132465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).