N-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine

C14H22N2S — CID 84633996

IUPACN-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
SMILESCNCCN1CC(C)Sc2c(C)cc(C)cc21
InChIInChI=1S/C14H22N2S/c1-10-7-11(2)14-13(8-10)16(6-5-15-4)9-12(3)17-14/h7-8,12,15H,5-6,9H2,1-4H3
InChIKeyKGNRXPKQMMXOEX-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.82
Rot. Bonds3

About N-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine

N-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine (PubChem CID 84633996) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
PubChem CID84633996
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
SMILESCNCCN1CC(C)Sc2c(C)cc(C)cc21
InChIInChI=1S/C14H22N2S/c1-10-7-11(2)14-13(8-10)16(6-5-15-4)9-12(3)17-14/h7-8,12,15H,5-6,9H2,1-4H3
InChIKeyKGNRXPKQMMXOEX-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine (CID 84633996) is N-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine is CNCCN1CC(C)Sc2c(C)cc(C)cc21.
What is the InChIKey of N-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
The InChIKey is KGNRXPKQMMXOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-7-11(2)14-13(8-10)16(6-5-15-4)9-12(3)17-14/h7-8,12,15H,5-6,9H2,1-4H3.
What are the key properties of N-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
N-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine has a molecular weight of 250.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine is sourced from PubChem (CID 84633996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).