2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine

C14H22N2OS — CID 84640231

IUPAC2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
SMILESCNCCN1c2c(OC)ccc(C)c2SCC1C
InChIInChI=1S/C14H22N2OS/c1-10-5-6-12(17-4)13-14(10)18-9-11(2)16(13)8-7-15-3/h5-6,11,15H,7-9H2,1-4H3
InChIKeyRFJYUBNYPFTIEF-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.52
Rot. Bonds4

About 2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine

2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine (PubChem CID 84640231) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
PubChem CID84640231
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
SMILESCNCCN1c2c(OC)ccc(C)c2SCC1C
InChIInChI=1S/C14H22N2OS/c1-10-5-6-12(17-4)13-14(10)18-9-11(2)16(13)8-7-15-3/h5-6,11,15H,7-9H2,1-4H3
InChIKeyRFJYUBNYPFTIEF-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine
CID 84621295
1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine
CID 84640236
1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84629194
2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795938
5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazine-2-carbonitrile
CID 84633219
2-(4,5,8-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanamine
CID 84628559
9-methoxy-N,3,6-trimethyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82889134
(7-methoxy-1,4-dimethyl-2,3-dihydroindol-2-yl)methanamine
CID 83860766
2-(6-methoxy-1,8-dimethyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine
CID 84633230
2-(3,6,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
CID 84628582
2-[3-methoxy-4-(thietan-3-yloxy)phenyl]-N-methylethanamine
CID 115005291
1-(7,8-dimethoxy-3,4-dihydro-2H-thiochromen-4-yl)-N-methylmethanamine
CID 15023236

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine?
The IUPAC name of 2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine (CID 84640231) is 2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine is CNCCN1c2c(OC)ccc(C)c2SCC1C.
What is the InChIKey of 2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine?
The InChIKey is RFJYUBNYPFTIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-5-6-12(17-4)13-14(10)18-9-11(2)16(13)8-7-15-3/h5-6,11,15H,7-9H2,1-4H3.
What are the key properties of 2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine?
2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine has a molecular weight of 266.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine is sourced from PubChem (CID 84640231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).