2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine

C15H24N2S — CID 84639610

IUPAC2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine
SMILESCN1c2ccc(C(C)(C)C)cc2SCC1CCN
InChIInChI=1S/C15H24N2S/c1-15(2,3)11-5-6-13-14(9-11)18-10-12(7-8-16)17(13)4/h5-6,9,12H,7-8,10,16H2,1-4H3
InChIKeyPKESGVWRIYZGPO-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.24
Rot. Bonds2

About 2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine

2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine (PubChem CID 84639610) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine
PubChem CID84639610
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine
SMILESCN1c2ccc(C(C)(C)C)cc2SCC1CCN
InChIInChI=1S/C15H24N2S/c1-15(2,3)11-5-6-13-14(9-11)18-10-12(7-8-16)17(13)4/h5-6,9,12H,7-8,10,16H2,1-4H3
InChIKeyPKESGVWRIYZGPO-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(11S,16R)-6-thia-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4-triene
CID 21302483
3-phenyl-3,4-dihydro-2H-1,4-benzothiazine hydrochloride
CID 16248223
3-phenyl-3,4-dihydro-2H-1,4-benzothiazine
CID 4962428
3-(3-tert-Butyl-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine--hydrogen chloride (1/1)
CID 114319
3,7-bis(1,1,3,3-tetramethylbutyl)-10H-phenothiazine
CID 82713
3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 24905663
3,7-Dioctyl-10-(2-propen-1-yl)-10H-phenothiazine
CID 44152301
Dimethylaminopropylphenothiazin
CID 17769062
3,7-Di-tert-butyl-10H-phenothiazine
CID 22081245
3-tert-Butyl-10H-phenothiazine
CID 22081246
Diathylaminoathyl-phenothiazin
CID 53796859
10-Ethyl-3,7-dimethyl-10H-phenothiazine
CID 58800458

Frequently Asked Questions

What is the IUPAC name of 2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine?
The IUPAC name of 2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine (CID 84639610) is 2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine.
What is the SMILES notation for 2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine?
The canonical SMILES for 2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine is CN1c2ccc(C(C)(C)C)cc2SCC1CCN.
What is the InChIKey of 2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine?
The InChIKey is PKESGVWRIYZGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-15(2,3)11-5-6-13-14(9-11)18-10-12(7-8-16)17(13)4/h5-6,9,12H,7-8,10,16H2,1-4H3.
What are the key properties of 2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine?
2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine has a molecular weight of 264.44 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine is sourced from PubChem (CID 84639610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).