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

C12H16N2OS — CID 82476500

IUPAC6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one
SMILESCNC(C)(C)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C12H16N2OS/c1-12(2,13-3)8-4-5-10-9(6-8)14-11(15)7-16-10/h4-6,13H,7H2,1-3H3,(H,14,15)
InChIKeyVHSPRVJYQAPHGV-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.19
Rot. Bonds2

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

6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one (PubChem CID 82476500) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one
PubChem CID82476500
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one
SMILESCNC(C)(C)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C12H16N2OS/c1-12(2,13-3)8-4-5-10-9(6-8)14-11(15)7-16-10/h4-6,13H,7H2,1-3H3,(H,14,15)
InChIKeyVHSPRVJYQAPHGV-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1,1-difluoroethyl)-4H-1,4-benzothiazin-3-one
CID 116841577
6-(1,2-diaminopropan-2-yl)-4H-1,4-benzothiazin-3-one
CID 116855616
6-(1,1-difluoropropyl)-4H-1,4-benzothiazin-3-one
CID 116841301
2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 55122169
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
7-tert-butyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 176725947
6-iodo-4H-1,4-benzothiazin-3-one
CID 90281504
6-(sulfanylmethylamino)-4H-1,4-benzothiazin-3-one
CID 115227650
6-[(3-hydroxy-2,2-dimethylpropyl)amino]-4H-1,4-benzothiazin-3-one
CID 81411832
6-(prop-2-ynylamino)-4H-1,4-benzothiazin-3-one
CID 60680899
7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one
CID 116994315

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one (CID 82476500) is 6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one is CNC(C)(C)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one?
The InChIKey is VHSPRVJYQAPHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-12(2,13-3)8-4-5-10-9(6-8)14-11(15)7-16-10/h4-6,13H,7H2,1-3H3,(H,14,15).
What are the key properties of 6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one?
6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one has a molecular weight of 236.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 82476500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).