N-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine

C14H22N2S — CID 84633906

IUPACN-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine
SMILESCNCCC1Sc2cc(C)ccc2N(C)C1C
InChIInChI=1S/C14H22N2S/c1-10-5-6-12-14(9-10)17-13(7-8-15-3)11(2)16(12)4/h5-6,9,11,13,15H,7-8H2,1-4H3
InChIKeyIFMKUQNDWCISAG-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.90
Rot. Bonds3

About N-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine

N-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine (PubChem CID 84633906) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine
PubChem CID84633906
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine
SMILESCNCCC1Sc2cc(C)ccc2N(C)C1C
InChIInChI=1S/C14H22N2S/c1-10-5-6-12-14(9-10)17-13(7-8-15-3)11(2)16(12)4/h5-6,9,11,13,15H,7-8H2,1-4H3
InChIKeyIFMKUQNDWCISAG-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3,4,6-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanamine
CID 84628597
1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine
CID 84640992
2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine
CID 84639599
2-(7-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)acetonitrile
CID 84634817
2-(1,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine
CID 84623134
2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine
CID 84629148
3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole
CID 171036663
3-hydroxy-2-(4-methoxyphenyl)-8-methyl-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride
CID 23318082
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 60840997
3,4-dimethyl-2-[2-(methylamino)ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid
CID 84639462
7-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carbonitrile
CID 84624102
2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-methylethanamine
CID 84634720

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine (CID 84633906) is N-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine is CNCCC1Sc2cc(C)ccc2N(C)C1C.
What is the InChIKey of N-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine?
The InChIKey is IFMKUQNDWCISAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-5-6-12-14(9-10)17-13(7-8-15-3)11(2)16(12)4/h5-6,9,11,13,15H,7-8H2,1-4H3.
What are the key properties of N-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine?
N-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine has a molecular weight of 250.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine is sourced from PubChem (CID 84633906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).