1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine

C11H16N2OS — CID 84624640

IUPAC1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine
SMILESCNCC1CSc2cccc(OC)c2N1
InChIInChI=1S/C11H16N2OS/c1-12-6-8-7-15-10-5-3-4-9(14-2)11(10)13-8/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeyNKVGYFFIEDIMKI-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.80
Rot. Bonds3

About 1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine

1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine (PubChem CID 84624640) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine
PubChem CID84624640
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine
SMILESCNCC1CSc2cccc(OC)c2N1
InChIInChI=1S/C11H16N2OS/c1-12-6-8-7-15-10-5-3-4-9(14-2)11(10)13-8/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeyNKVGYFFIEDIMKI-UHFFFAOYSA-N
XLogP1.80
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
CID 84621166
1-(7-methoxy-2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine
CID 83860483
1-(8-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylmethanamine
CID 84620735
1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 117200321
1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84629194
2-(5-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylethanamine
CID 84630665
N-methyl-3-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628505
N-ethyl-5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
CID 14330486
1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 116811386
5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
CID 53408302
(5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
CID 84637559
8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline
CID 83883204

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine (CID 84624640) is 1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine is CNCC1CSc2cccc(OC)c2N1.
What is the InChIKey of 1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine?
The InChIKey is NKVGYFFIEDIMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-12-6-8-7-15-10-5-3-4-9(14-2)11(10)13-8/h3-5,8,12-13H,6-7H2,1-2H3.
What are the key properties of 1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine?
1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine has a molecular weight of 224.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 84624640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).