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

C16H19N3S — CID 14670

💊View drug profile → prothipendyl
IUPACN,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
SMILESCN(C)CCCN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C16H19N3S/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3
InChIKeyJTTAUPUMOLRVRA-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.64
Rot. Bonds4

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

N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine (PubChem CID 14670) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
PubChem CID14670
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
SMILESCN(C)CCCN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C16H19N3S/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3
InChIKeyJTTAUPUMOLRVRA-UHFFFAOYSA-N
XLogP3.64
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Isothipendyl
CID 3781
Isothipendyl Hydrochloride
CID 14668
Azaphenothiazine
CID 67496
1,4-Diazaphenothiazine
CID 12351784
Prothipendyl Hydrochloride
CID 14669
10-(2-propynyl)-10H-pyrido[3,2-b][1,4]benzothiazine
CID 1483729
5-(4-Methylpiperazin-1-YL)pyrido[2,3-B][1,5]benzothiazepine
CID 10335576
1-[3-(4-Fluorophenyl)sulfanylpropyl]-4-pyridin-2-ylpiperazine
CID 57401706
10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(3-(methylamino)propyl)-
CID 3051459
Oxypendyl
CID 168893
10H-phenothiazin-10-yl[4-(pyridin-2-yl)piperazin-1-yl]methanone
CID 660379
3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 12858138

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine (CID 14670) is N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine is CN(C)CCCN1c2ccccc2Sc2cccnc21.
What is the InChIKey of N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
The InChIKey is JTTAUPUMOLRVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine has a molecular weight of 285.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine is sourced from PubChem (CID 14670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).