2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine

C13H20N2S — CID 84628582

IUPAC2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
SMILESCc1cc2c(cc1C)N(CCN)C(C)CS2
InChIInChI=1S/C13H20N2S/c1-9-6-12-13(7-10(9)2)16-8-11(3)15(12)5-4-14/h6-7,11H,4-5,8,14H2,1-3H3
InChIKeyLMOBAGAAILZPSR-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.56
Rot. Bonds2

About 2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine

2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine (PubChem CID 84628582) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
PubChem CID84628582
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
SMILESCc1cc2c(cc1C)N(CCN)C(C)CS2
InChIInChI=1S/C13H20N2S/c1-9-6-12-13(7-10(9)2)16-8-11(3)15(12)5-4-14/h6-7,11H,4-5,8,14H2,1-3H3
InChIKeyLMOBAGAAILZPSR-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-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
The IUPAC name of 2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine (CID 84628582) is 2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine.
What is the SMILES notation for 2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
The canonical SMILES for 2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine is Cc1cc2c(cc1C)N(CCN)C(C)CS2.
What is the InChIKey of 2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
The InChIKey is LMOBAGAAILZPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9-6-12-13(7-10(9)2)16-8-11(3)15(12)5-4-14/h6-7,11H,4-5,8,14H2,1-3H3.
What are the key properties of 2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-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-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine is sourced from PubChem (CID 84628582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).