2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine

C13H20N2S — CID 84628559

IUPAC2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine
SMILESCc1ccc(C)c2c1SCC(CCN)N2C
InChIInChI=1S/C13H20N2S/c1-9-4-5-10(2)13-12(9)15(3)11(6-7-14)8-16-13/h4-5,11H,6-8,14H2,1-3H3
InChIKeyVSFVITSPJHKKLC-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.56
Rot. Bonds2

About 2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine

2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine (PubChem CID 84628559) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine
PubChem CID84628559
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine
SMILESCc1ccc(C)c2c1SCC(CCN)N2C
InChIInChI=1S/C13H20N2S/c1-9-4-5-10(2)13-12(9)15(3)11(6-7-14)8-16-13/h4-5,11H,6-8,14H2,1-3H3
InChIKeyVSFVITSPJHKKLC-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine?
The IUPAC name of 2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine (CID 84628559) is 2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine.
What is the SMILES notation for 2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine?
The canonical SMILES for 2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine is Cc1ccc(C)c2c1SCC(CCN)N2C.
What is the InChIKey of 2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine?
The InChIKey is VSFVITSPJHKKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9-4-5-10(2)13-12(9)15(3)11(6-7-14)8-16-13/h4-5,11H,6-8,14H2,1-3H3.
What are the key properties of 2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine?
2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine has a molecular weight of 236.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine is sourced from PubChem (CID 84628559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).