5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

C10H13NO2S — CID 84621585

IUPAC5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCCc1cccc2c1NCCS2(=O)=O
InChIInChI=1S/C10H13NO2S/c1-2-8-4-3-5-9-10(8)11-6-7-14(9,12)13/h3-5,11H,2,6-7H2,1H3
InChIKeyRWDGWNXPLZHVIA-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.45
Rot. Bonds1

About 5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (PubChem CID 84621585) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
PubChem CID84621585
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCCc1cccc2c1NCCS2(=O)=O
InChIInChI=1S/C10H13NO2S/c1-2-8-4-3-5-9-10(8)11-6-7-14(9,12)13/h3-5,11H,2,6-7H2,1H3
InChIKeyRWDGWNXPLZHVIA-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84618476
1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84635329
7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84621580
6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 84618977
(3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine
CID 115095877
(8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 82276255
5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619205
1-(2,6-diethylphenyl)imidazolidin-2-one
CID 115370429
5-ethyl-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carbonitrile
CID 84633791
5-chloro-3-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84632115
3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84625811
3-tert-butyl-5-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84628238

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (CID 84621585) is 5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is CCc1cccc2c1NCCS2(=O)=O.
What is the InChIKey of 5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The InChIKey is RWDGWNXPLZHVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-8-4-3-5-9-10(8)11-6-7-14(9,12)13/h3-5,11H,2,6-7H2,1H3.
What are the key properties of 5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide has a molecular weight of 211.29 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 84621585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).