6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one

C14H18N2O2S — CID 84615633

IUPAC6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one
SMILESCC1Sc2ccc(N)cc2N(C2CCOCC2)C1=O
InChIInChI=1S/C14H18N2O2S/c1-9-14(17)16(11-4-6-18-7-5-11)12-8-10(15)2-3-13(12)19-9/h2-3,8-9,11H,4-7,15H2,1H3
InChIKeyXGIMYMWOBZAPCC-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.28
Rot. Bonds1

About 6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one

6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one (PubChem CID 84615633) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one
PubChem CID84615633
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one
SMILESCC1Sc2ccc(N)cc2N(C2CCOCC2)C1=O
InChIInChI=1S/C14H18N2O2S/c1-9-14(17)16(11-4-6-18-7-5-11)12-8-10(15)2-3-13(12)19-9/h2-3,8-9,11H,4-7,15H2,1H3
InChIKeyXGIMYMWOBZAPCC-UHFFFAOYSA-N
XLogP2.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one
CID 84615562
6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one
CID 115260501
6-amino-4-(3-aminopropyl)-2-methyl-1,4-benzothiazin-3-one
CID 115197127
6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one
CID 84615627
2-(7-amino-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanoic acid
CID 84615525
6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one
CID 115259519
5-amino-1-(oxan-4-yl)pyridin-2-one
CID 165473798
6-amino-1-cyclopropyl-3,3-dimethylindol-2-one
CID 118415185
7-amino-2-methyl-4-(2-methylprop-2-enyl)-1,4-benzothiazin-3-one
CID 84615543
(1R)-9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one
CID 129410149
3-(7-amino-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanoic acid
CID 84615540
6-(2-aminoethyl)-2-methyl-3-oxo-1,4-benzothiazine-4-carbonyl bromide
CID 115193965

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one?
The IUPAC name of 6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one (CID 84615633) is 6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one?
The canonical SMILES for 6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one is CC1Sc2ccc(N)cc2N(C2CCOCC2)C1=O.
What is the InChIKey of 6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one?
The InChIKey is XGIMYMWOBZAPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-14(17)16(11-4-6-18-7-5-11)12-8-10(15)2-3-13(12)19-9/h2-3,8-9,11H,4-7,15H2,1H3.
What are the key properties of 6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one?
6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one has a molecular weight of 278.38 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one is sourced from PubChem (CID 84615633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).