2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine

C14H21NOS — CID 84634448

IUPAC2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCOc1ccc(C)c2c1NCC(C(C)(C)C)S2
InChIInChI=1S/C14H21NOS/c1-9-6-7-10(16-5)12-13(9)17-11(8-15-12)14(2,3)4/h6-7,11,15H,8H2,1-5H3
InChIKeyWUIUFNCRDNSFRJ-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.94
Rot. Bonds1

About 2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine

2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 84634448) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID84634448
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCOc1ccc(C)c2c1NCC(C(C)(C)C)S2
InChIInChI=1S/C14H21NOS/c1-9-6-7-10(16-5)12-13(9)17-11(8-15-12)14(2,3)4/h6-7,11,15H,8H2,1-5H3
InChIKeyWUIUFNCRDNSFRJ-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619364
5-methoxy-2,2,8-trimethyl-3,4-dihydro-1,4-benzothiazine
CID 84624461
5-bromo-2-tert-butyl-7-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84644577
(3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 101139844
9-methoxy-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83217600
2-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzothiazine
CID 84630156
7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 84622575
2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-2-amine
CID 84627124
7-methoxy-4-methylspiro[1H-indole-3,4'-piperidine]-2-one
CID 84632325
6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 82158148
9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 82396298
2,3-diiodo-1-methoxy-4-methylbenzene
CID 130056548

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine (CID 84634448) is 2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine is COc1ccc(C)c2c1NCC(C(C)(C)C)S2.
What is the InChIKey of 2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is WUIUFNCRDNSFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-9-6-7-10(16-5)12-13(9)17-11(8-15-12)14(2,3)4/h6-7,11,15H,8H2,1-5H3.
What are the key properties of 2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine?
2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 251.39 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 84634448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).