N-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine

C15H17N3S — CID 3051459

IUPACN-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
SMILESCNCCCN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C15H17N3S/c1-16-9-5-11-18-12-6-2-3-7-13(12)19-14-8-4-10-17-15(14)18/h2-4,6-8,10,16H,5,9,11H2,1H3
InChIKeyAEMFHCSBNWXXOO-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.29
Rot. Bonds4

About N-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine

N-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine (PubChem CID 3051459) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
PubChem CID3051459
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
SMILESCNCCCN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C15H17N3S/c1-16-9-5-11-18-12-6-2-3-7-13(12)19-14-8-4-10-17-15(14)18/h2-4,6-8,10,16H,5,9,11H2,1H3
InChIKeyAEMFHCSBNWXXOO-UHFFFAOYSA-N
XLogP3.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
The IUPAC name of N-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine (CID 3051459) is N-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine is CNCCCN1c2ccccc2Sc2cccnc21.
What is the InChIKey of N-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
The InChIKey is AEMFHCSBNWXXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-16-9-5-11-18-12-6-2-3-7-13(12)19-14-8-4-10-17-15(14)18/h2-4,6-8,10,16H,5,9,11H2,1H3.
What are the key properties of N-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
N-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine has a molecular weight of 271.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine is sourced from PubChem (CID 3051459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).