5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine

C11H15NS — CID 84619205

IUPAC5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCCc1cccc2c1NC(C)CS2
InChIInChI=1S/C11H15NS/c1-3-9-5-4-6-10-11(9)12-8(2)7-13-10/h4-6,8,12H,3,7H2,1-2H3
InChIKeyNNGSQDLUCWVAFB-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.16
Rot. Bonds1

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

5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 84619205) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID84619205
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCCc1cccc2c1NC(C)CS2
InChIInChI=1S/C11H15NS/c1-3-9-5-4-6-10-11(9)12-8(2)7-13-10/h4-6,8,12H,3,7H2,1-2H3
InChIKeyNNGSQDLUCWVAFB-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine (CID 84619205) is 5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine is CCc1cccc2c1NC(C)CS2.
What is the InChIKey of 5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is NNGSQDLUCWVAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-3-9-5-4-6-10-11(9)12-8(2)7-13-10/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine?
5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 193.31 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 84619205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).