3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione

C11H11NO3S — CID 5152763

IUPAC3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione
SMILESCOCCn1c(=O)sc2ccccc2c1=O
InChIInChI=1S/C11H11NO3S/c1-15-7-6-12-10(13)8-4-2-3-5-9(8)16-11(12)14/h2-5H,6-7H2,1H3
InChIKeyBKMRVTNVGIPTPD-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.07
Rot. Bonds3

About 3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione

3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione (PubChem CID 5152763) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione
PubChem CID5152763
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione
SMILESCOCCn1c(=O)sc2ccccc2c1=O
InChIInChI=1S/C11H11NO3S/c1-15-7-6-12-10(13)8-4-2-3-5-9(8)16-11(12)14/h2-5H,6-7H2,1H3
InChIKeyBKMRVTNVGIPTPD-UHFFFAOYSA-N
XLogP1.07
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone
CID 563441
2-{2-[(2-Methoxyethyl)thio]benzoyl}-1,2,3,4-tetrahydroisoquinoline
CID 2218461
3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone
CID 2228740
(2-Methylsulfanylphenyl)-piperidin-1-ylmethanone
CID 2962943
[2-[(4-Fluorophenyl)methylsulfanyl]phenyl]-morpholin-4-ylmethanone
CID 778212
2H-1,3-Benzothiazine-2,4(3H)-dione
CID 3499793
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
1-{2-[(2-Methoxyethyl)thio]benzoyl}pyrrolidine
CID 2218447
3-(2-methoxy-1-methylethyl)-2H-1,3-benzothiazine-2,4(3H)-dione
CID 3613575
4-Benzyl-1-{2-[(2-methoxyethyl)thio]benzoyl}piperidine
CID 2218441

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione?
The IUPAC name of 3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione (CID 5152763) is 3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione.
What is the SMILES notation for 3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione?
The canonical SMILES for 3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione is COCCn1c(=O)sc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione?
The InChIKey is BKMRVTNVGIPTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-15-7-6-12-10(13)8-4-2-3-5-9(8)16-11(12)14/h2-5H,6-7H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione?
3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione has a molecular weight of 237.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1,3-benzothiazine-2,4-dione is sourced from PubChem (CID 5152763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).