N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine

C11H16N2S — CID 84621166

IUPACN-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
SMILESCNCC1CSc2cccc(C)c2N1
InChIInChI=1S/C11H16N2S/c1-8-4-3-5-10-11(8)13-9(6-12-2)7-14-10/h3-5,9,12-13H,6-7H2,1-2H3
InChIKeyGFVYUGKNDWPMLS-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.10
Rot. Bonds2

About N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine

N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine (PubChem CID 84621166) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
PubChem CID84621166
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
SMILESCNCC1CSc2cccc(C)c2N1
InChIInChI=1S/C11H16N2S/c1-8-4-3-5-10-11(8)13-9(6-12-2)7-14-10/h3-5,9,12-13H,6-7H2,1-2H3
InChIKeyGFVYUGKNDWPMLS-UHFFFAOYSA-N
XLogP2.10
TPSA24.06 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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine (CID 84621166) is N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine is CNCC1CSc2cccc(C)c2N1.
What is the InChIKey of N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine?
The InChIKey is GFVYUGKNDWPMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-8-4-3-5-10-11(8)13-9(6-12-2)7-14-10/h3-5,9,12-13H,6-7H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine?
N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine has a molecular weight of 208.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine is sourced from PubChem (CID 84621166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).