3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride

C12H15ClN2O2S — CID 3067554

IUPAC3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride
SMILESCN(C)CCn1c(=O)sc2ccccc2c1=O.Cl
InChIInChI=1S/C12H14N2O2S.ClH/c1-13(2)7-8-14-11(15)9-5-3-4-6-10(9)17-12(14)16;/h3-6H,7-8H2,1-2H3;1H
InChIKeyUCJJUDKBYDAXEA-UHFFFAOYSA-N
MW286.78 g/mol
LogP1.41
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride

3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride (PubChem CID 3067554) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride
PubChem CID3067554
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride
SMILESCN(C)CCn1c(=O)sc2ccccc2c1=O.Cl
InChIInChI=1S/C12H14N2O2S.ClH/c1-13(2)7-8-14-11(15)9-5-3-4-6-10(9)17-12(14)16;/h3-6H,7-8H2,1-2H3;1H
InChIKeyUCJJUDKBYDAXEA-UHFFFAOYSA-N
XLogP1.41
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone
CID 2228740
(2-Methylsulfanylphenyl)-piperidin-1-ylmethanone
CID 2962943
2H-1,3-Benzothiazine-2,4(3H)-dione
CID 3499793
(4-Benzylpiperazin-1-yl)-(2-methylsulfonylphenyl)methanone
CID 2458706
1-{2-[(2-Methoxyethyl)thio]benzoyl}-3-methylpiperidine
CID 2963122
3-(2-fluorobenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione
CID 3418935
4-[2-(Methylthio)benzoyl]morpholine
CID 966864
N-benzyl-N-methyl-2-(methylthio)benzamide
CID 1294128
3-(2-methoxy-1-methylethyl)-2H-1,3-benzothiazine-2,4(3H)-dione
CID 3613575
1-Benzyl-4-{2-[(2-methoxyethyl)thio]benzoyl}piperazine
CID 2218449
2-methylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 2444220
3-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione
CID 3523501

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride (CID 3067554) is 3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride is CN(C)CCn1c(=O)sc2ccccc2c1=O.Cl.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride?
The InChIKey is UCJJUDKBYDAXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S.ClH/c1-13(2)7-8-14-11(15)9-5-3-4-6-10(9)17-12(14)16;/h3-6H,7-8H2,1-2H3;1H.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride?
3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione;hydrochloride is sourced from PubChem (CID 3067554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).