N,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine

C15H17N3OS — CID 110174393

IUPACN,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine
SMILESCN(C)CCN1c2ccccc2S(=O)c2cccnc21
InChIInChI=1S/C15H17N3OS/c1-17(2)10-11-18-12-6-3-4-7-13(12)20(19)14-8-5-9-16-15(14)18/h3-9H,10-11H2,1-2H3
InChIKeyNUXCTROBCFRUKE-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.26
Rot. Bonds3

About N,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine

N,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine (PubChem CID 110174393) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine
PubChem CID110174393
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine
SMILESCN(C)CCN1c2ccccc2S(=O)c2cccnc21
InChIInChI=1S/C15H17N3OS/c1-17(2)10-11-18-12-6-3-4-7-13(12)20(19)14-8-5-9-16-15(14)18/h3-9H,10-11H2,1-2H3
InChIKeyNUXCTROBCFRUKE-UHFFFAOYSA-N
XLogP2.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride
CID 71587927
3-[9-[3-(dimethylamino)propyl]-5-nitro-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-2-yl]-N,N-dimethylpropan-1-amine
CID 11761176
11-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one
CID 54288868
11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one
CID 21438315
2,9-bis[3-(dimethylamino)propyl]-2,4,9,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene-5-carbaldehyde
CID 11058062
2-benzo[b][1]benzazepin-11-yl-N,N-dimethylethanamine;hydrochloride
CID 3069671
2-(2,4,6-trimethylphenyl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide
CID 59573479
2,9-bis(3-methoxypropyl)-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 101397613
N,N-dimethyl-3-(18-thia-11,13-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl)propan-1-amine
CID 110174266
N,N-dimethyl-3-(6-phenyl-5,6-dihydropyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine;hydrate;dihydrochloride
CID 15586708
5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one;hydron;chloride
CID 74765296
trimethyl-[1-(5-oxophenothiazin-10-yl)propan-2-yl]azanium iodide
CID 11744051

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine (CID 110174393) is N,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine is CN(C)CCN1c2ccccc2S(=O)c2cccnc21.
What is the InChIKey of N,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine?
The InChIKey is NUXCTROBCFRUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-17(2)10-11-18-12-6-3-4-7-13(12)20(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-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine?
N,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine has a molecular weight of 287.39 g/mol, XLogP of 2.26, 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-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine is sourced from PubChem (CID 110174393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).