3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one

C14H20N2OS — CID 84639547

IUPAC3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
SMILESCCc1cccc2c1N(C(=O)CCN)C(C)CS2
InChIInChI=1S/C14H20N2OS/c1-3-11-5-4-6-12-14(11)16(10(2)9-18-12)13(17)7-8-15/h4-6,10H,3,7-9,15H2,1-2H3
InChIKeyGXDZGLUQZQYSTK-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.42
Rot. Bonds3

About 3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one

3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one (PubChem CID 84639547) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
PubChem CID84639547
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
SMILESCCc1cccc2c1N(C(=O)CCN)C(C)CS2
InChIInChI=1S/C14H20N2OS/c1-3-11-5-4-6-12-14(11)16(10(2)9-18-12)13(17)7-8-15/h4-6,10H,3,7-9,15H2,1-2H3
InChIKeyGXDZGLUQZQYSTK-UHFFFAOYSA-N
XLogP2.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
CID 84620981
5-(5-bromo-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-5-oxopentanoic acid
CID 84646978
2-amino-1-(3,5,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84633871
2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84636363
1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one
CID 84639546
2-amino-1-(5-bromo-3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84645572
3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628515
3-amino-1-(5-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 84644601
N-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine
CID 70606377
5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619205
5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
CID 84628245
1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone
CID 84639533

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one?
The IUPAC name of 3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one (CID 84639547) is 3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one is CCc1cccc2c1N(C(=O)CCN)C(C)CS2.
What is the InChIKey of 3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one?
The InChIKey is GXDZGLUQZQYSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-11-5-4-6-12-14(11)16(10(2)9-18-12)13(17)7-8-15/h4-6,10H,3,7-9,15H2,1-2H3.
What are the key properties of 3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one?
3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one has a molecular weight of 264.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one is sourced from PubChem (CID 84639547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).