2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine

C11H16N2S — CID 84621176

IUPAC2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
SMILESCc1ccc2c(c1)NC(CCN)CS2
InChIInChI=1S/C11H16N2S/c1-8-2-3-11-10(6-8)13-9(4-5-12)7-14-11/h2-3,6,9,13H,4-5,7,12H2,1H3
InChIKeyMBYXYQSEGNGQFP-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.23
Rot. Bonds2

About 2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine

2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine (PubChem CID 84621176) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
PubChem CID84621176
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
SMILESCc1ccc2c(c1)NC(CCN)CS2
InChIInChI=1S/C11H16N2S/c1-8-2-3-11-10(6-8)13-9(4-5-12)7-14-11/h2-3,6,9,13H,4-5,7,12H2,1H3
InChIKeyMBYXYQSEGNGQFP-UHFFFAOYSA-N
XLogP2.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628599
2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
CID 84641786
3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84618482
(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol
CID 84622170
5-methyl-2,3-dihydro-1,3-benzothiazole
CID 22342374
(5-methyl-2,3-dihydro-1H-indol-2-yl)methanamine
CID 83860472
(3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
CID 84621174
7-methyl-3,4-dihydro-2H-1,4-benzothiazine-3-carbonitrile
CID 84618927
2-(6-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)acetic acid
CID 84629451
2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
CID 84630120
3-(7-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
CID 84634423
3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628515

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine?
The IUPAC name of 2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine (CID 84621176) is 2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine.
What is the SMILES notation for 2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine?
The canonical SMILES for 2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine is Cc1ccc2c(c1)NC(CCN)CS2.
What is the InChIKey of 2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine?
The InChIKey is MBYXYQSEGNGQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-8-2-3-11-10(6-8)13-9(4-5-12)7-14-11/h2-3,6,9,13H,4-5,7,12H2,1H3.
What are the key properties of 2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine?
2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine has a molecular weight of 208.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine is sourced from PubChem (CID 84621176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).