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

C12H18N2OS — CID 84629194

IUPAC1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
SMILESCNCC1CSc2cccc(OC)c2N1C
InChIInChI=1S/C12H18N2OS/c1-13-7-9-8-16-11-6-4-5-10(15-3)12(11)14(9)2/h4-6,9,13H,7-8H2,1-3H3
InChIKeyXBBFTDMVCBTLCG-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.83
Rot. Bonds3

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

1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine (PubChem CID 84629194) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
PubChem CID84629194
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
SMILESCNCC1CSc2cccc(OC)c2N1C
InChIInChI=1S/C12H18N2OS/c1-13-7-9-8-16-11-6-4-5-10(15-3)12(11)14(9)2/h4-6,9,13H,7-8H2,1-3H3
InChIKeyXBBFTDMVCBTLCG-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)acetic acid
CID 84634945
1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 117200321
1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84624640
3-(5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine
CID 84645581
1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84643683
(7-methoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine
CID 83860757
2-(5-methoxy-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)acetic acid
CID 84640483
2-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)acetonitrile
CID 84632583
N-ethyl-5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
CID 14330486
2-(5-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)acetonitrile
CID 84624107
1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 116811386
3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol
CID 84640010

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine (CID 84629194) is 1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine is CNCC1CSc2cccc(OC)c2N1C.
What is the InChIKey of 1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine?
The InChIKey is XBBFTDMVCBTLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-13-7-9-8-16-11-6-4-5-10(15-3)12(11)14(9)2/h4-6,9,13H,7-8H2,1-3H3.
What are the key properties of 1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine?
1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine has a molecular weight of 238.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 84629194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).