N,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine

C15H17N3S — CID 3051455

IUPACN,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine
SMILESCN(C)CCN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C15H17N3S/c1-17(2)10-11-18-12-6-3-4-7-13(12)19-14-8-5-9-16-15(14)18/h3-9H,10-11H2,1-2H3
InChIKeyIOMZFYHUMFIMOV-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.25
Rot. Bonds3

About N,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine

N,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine (PubChem CID 3051455) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine
PubChem CID3051455
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine
SMILESCN(C)CCN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C15H17N3S/c1-17(2)10-11-18-12-6-3-4-7-13(12)19-14-8-5-9-16-15(14)18/h3-9H,10-11H2,1-2H3
InChIKeyIOMZFYHUMFIMOV-UHFFFAOYSA-N
XLogP3.25
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine?
The IUPAC name of N,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine (CID 3051455) is N,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine.
What is the SMILES notation for N,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine?
The canonical SMILES for N,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine is CN(C)CCN1c2ccccc2Sc2cccnc21.
What is the InChIKey of N,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine?
The InChIKey is IOMZFYHUMFIMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-17(2)10-11-18-12-6-3-4-7-13(12)19-14-8-5-9-16-15(14)18/h3-9H,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine?
N,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine has a molecular weight of 271.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-pyrido[3,2-b][1,4]benzothiazin-10-ylethanamine is sourced from PubChem (CID 3051455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).