N-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine

C15H24N2S — CID 84639625

IUPACN-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
SMILESCNCCC1Sc2cccc(C(C)C)c2NC1C
InChIInChI=1S/C15H24N2S/c1-10(2)12-6-5-7-14-15(12)17-11(3)13(18-14)8-9-16-4/h5-7,10-11,13,16-17H,8-9H2,1-4H3
InChIKeyHSAGXLIBNTVXFF-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.69
Rot. Bonds4

About N-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine

N-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine (PubChem CID 84639625) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
PubChem CID84639625
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
SMILESCNCCC1Sc2cccc(C(C)C)c2NC1C
InChIInChI=1S/C15H24N2S/c1-10(2)12-6-5-7-14-15(12)17-11(3)13(18-14)8-9-16-4/h5-7,10-11,13,16-17H,8-9H2,1-4H3
InChIKeyHSAGXLIBNTVXFF-UHFFFAOYSA-N
XLogP3.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-methylethanamine
CID 84636384
2-(methylaminomethyl)-5-propan-2-yl-4H-1,4-benzothiazin-3-one
CID 84633864
2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-methylethanamine
CID 84634720
2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol
CID 84628945
2-(5-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylethanamine
CID 84630665
2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole
CID 82276811
bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride
CID 139074965
N'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine
CID 70570359
2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84620477
1-propan-2-yl-10H-phenothiazine;hydrate;tetrahydroiodide
CID 173481491
7-propan-2-yl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 4556277
4-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylbutan-1-amine
CID 79224330

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine (CID 84639625) is N-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine is CNCCC1Sc2cccc(C(C)C)c2NC1C.
What is the InChIKey of N-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine?
The InChIKey is HSAGXLIBNTVXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-10(2)12-6-5-7-14-15(12)17-11(3)13(18-14)8-9-16-4/h5-7,10-11,13,16-17H,8-9H2,1-4H3.
What are the key properties of N-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine?
N-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine has a molecular weight of 264.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine is sourced from PubChem (CID 84639625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).