6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one

C13H18N2O2S — CID 115917300

IUPAC6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one
SMILESCCOCC(C)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H18N2O2S/c1-3-17-7-9(2)14-10-4-5-12-11(6-10)15-13(16)8-18-12/h4-6,9,14H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyQEVHCQXJVWPLMY-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.57
Rot. Bonds5

About 6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one

6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one (PubChem CID 115917300) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one
PubChem CID115917300
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one
SMILESCCOCC(C)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H18N2O2S/c1-3-17-7-9(2)14-10-4-5-12-11(6-10)15-13(16)8-18-12/h4-6,9,14H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyQEVHCQXJVWPLMY-UHFFFAOYSA-N
XLogP2.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-methoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 62535463
6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 103388562
6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079
6-(1-pyrrolidin-2-ylpropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 79541702
6-[1-(4-methylphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723176
6-[1-(4-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723169
6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723190
6-(4-aminopentylamino)-4H-1,4-benzothiazin-3-one
CID 115203617
3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
CID 62837216
6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43226997
6-(sulfanylmethylamino)-4H-1,4-benzothiazin-3-one
CID 115227650
6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723199

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one (CID 115917300) is 6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one is CCOCC(C)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one?
The InChIKey is QEVHCQXJVWPLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-17-7-9(2)14-10-4-5-12-11(6-10)15-13(16)8-18-12/h4-6,9,14H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of 6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one?
6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one has a molecular weight of 266.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 115917300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).