1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone

C14H20N2OS — CID 84639533

IUPAC1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone
SMILESCCc1ccc2c(c1)SCC(C)N2C(=O)CNC
InChIInChI=1S/C14H20N2OS/c1-4-11-5-6-12-13(7-11)18-9-10(2)16(12)14(17)8-15-3/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyXKYBVJCUNXKKCB-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.30
Rot. Bonds3

About 1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone

1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone (PubChem CID 84639533) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone
PubChem CID84639533
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone
SMILESCCc1ccc2c(c1)SCC(C)N2C(=O)CNC
InChIInChI=1S/C14H20N2OS/c1-4-11-5-6-12-13(7-11)18-9-10(2)16(12)14(17)8-15-3/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyXKYBVJCUNXKKCB-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide
CID 110746285
2-(3,4-dimethoxyphenyl)-1-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 110746276
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
7-ethyl-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid
CID 84624387
2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84633847
2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84636363
(4R)-4-methyl-5-[2-(methylamino)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 9391866
2-(2-methoxyphenoxy)-1-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 110738121
3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 84639547
2-(6-fluoro-1H-indol-3-yl)-1-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 95974075
2-amino-1-(3,5,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84633871
1-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)-N-methylmethanamine
CID 83860788

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone (CID 84639533) is 1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone is CCc1ccc2c(c1)SCC(C)N2C(=O)CNC.
What is the InChIKey of 1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone?
The InChIKey is XKYBVJCUNXKKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-4-11-5-6-12-13(7-11)18-9-10(2)16(12)14(17)8-15-3/h5-7,10,15H,4,8-9H2,1-3H3.
What are the key properties of 1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone?
1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone has a molecular weight of 264.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 84639533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).