5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine

C14H21NS — CID 84628245

IUPAC5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
SMILESCC1CSc2cccc(C(C)(C)C)c2N1C
InChIInChI=1S/C14H21NS/c1-10-9-16-12-8-6-7-11(14(2,3)4)13(12)15(10)5/h6-8,10H,9H2,1-5H3
InChIKeyWEMFODYGHLUQHN-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.91
Rot. Bonds

About 5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine

5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 84628245) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
PubChem CID84628245
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
SMILESCC1CSc2cccc(C(C)(C)C)c2N1C
InChIInChI=1S/C14H21NS/c1-10-9-16-12-8-6-7-11(14(2,3)4)13(12)15(10)5/h6-8,10H,9H2,1-5H3
InChIKeyWEMFODYGHLUQHN-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine with MolForge

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Related Compounds

5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
CID 84620981
2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
CID 84633958
1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine
CID 84639629
2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
CID 84639627
5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid
CID 84639980
4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazine-3-carbonitrile
CID 84627258
3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 84639547
2-(5-tert-butyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
CID 84634436
2-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)acetonitrile
CID 84632583
6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
CID 84621868
N-(2,6-diethylphenyl)-3,4-dimethyl-1,3-thiazolidin-2-imine
CID 70606377
7-tert-butyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole
CID 170383078

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine (CID 84628245) is 5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine is CC1CSc2cccc(C(C)(C)C)c2N1C.
What is the InChIKey of 5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is WEMFODYGHLUQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-10-9-16-12-8-6-7-11(14(2,3)4)13(12)15(10)5/h6-8,10H,9H2,1-5H3.
What are the key properties of 5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine?
5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 235.40 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 84628245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).