6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine

C11H15NS — CID 140990864

IUPAC6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine
SMILESCCc1ccc2c(c1)CN(C)CS2
InChIInChI=1S/C11H15NS/c1-3-9-4-5-11-10(6-9)7-12(2)8-13-11/h4-6H,3,7-8H2,1-2H3
InChIKeyZDXUPEMOLFQMLT-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.74
Rot. Bonds1

About 6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine

6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine (PubChem CID 140990864) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine.

Molecular Properties

Compound Name6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine
PubChem CID140990864
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine
SMILESCCc1ccc2c(c1)CN(C)CS2
InChIInChI=1S/C11H15NS/c1-3-9-4-5-11-10(6-9)7-12(2)8-13-11/h4-6H,3,7-8H2,1-2H3
InChIKeyZDXUPEMOLFQMLT-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline
CID 176702040
6-ethyl-3,4-dihydro-2H-thiochromen-3-amine
CID 82401614
7,21,29,43-tetraethyl-3,25-dimethyl-11,14,17,33,36,39-hexaoxa-3,25-diazapentacyclo[38.4.0.05,10.018,23.027,32]tetratetraconta-1(40),5(10),6,8,18(23),19,21,27(32),28,30,41,43-dodecaene
CID 101240085
5-ethyl-2,3-dihydro-1,3-benzothiazole
CID 89109120
2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine
CID 168764165
7-ethyl-1H-isochromene
CID 90840835
3,7-diethyl-10-methylphenothiazine
CID 130181273
(2-methyl-1,3-dihydroisoindol-5-yl)methanamine
CID 82502825
5-ethyl-1,3-dihydroisoindole-2-carboxylic acid
CID 143402726
2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol
CID 171522905
1-tert-butyl-5-ethyl-2,3-dihydroindole
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6-ethyl-4,4-dimethyl-2,3-dihydrothiochromene
CID 129069986

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine?
The IUPAC name of 6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine (CID 140990864) is 6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine.
What is the SMILES notation for 6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine?
The canonical SMILES for 6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine is CCc1ccc2c(c1)CN(C)CS2.
What is the InChIKey of 6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine?
The InChIKey is ZDXUPEMOLFQMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-3-9-4-5-11-10(6-9)7-12(2)8-13-11/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine?
6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine has a molecular weight of 193.31 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine is sourced from PubChem (CID 140990864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).