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

C16H19N3S — CID 3781

IUPACN,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine
SMILESCC(CN1c2ccccc2Sc2cccnc21)N(C)C
InChIInChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3
InChIKeyOQJBSDFFQWMKBQ-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.63
Rot. Bonds3

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

N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine (PubChem CID 3781) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine
PubChem CID3781
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine
SMILESCC(CN1c2ccccc2Sc2cccnc21)N(C)C
InChIInChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3
InChIKeyOQJBSDFFQWMKBQ-UHFFFAOYSA-N
XLogP3.63
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Prothipendyl
CID 14670
Isothipendyl Hydrochloride
CID 14668
Azaphenothiazine
CID 67496
1,4-Diazaphenothiazine
CID 12351784
Prothipendyl Hydrochloride
CID 14669
Oxypendyl
CID 168893
1-Pyridin-2-yl-4-(4-thiophen-2-yl-cyclohex-3-enyl)-piperazine
CID 15079634
10-(2-propynyl)-10H-pyrido[3,2-b][1,4]benzothiazine
CID 1483729
1-{2-[(4-Fluorophenyl)sulfonyl]ethyl}-4-(2-pyridinyl)piperazine
CID 2810612
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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine?
The IUPAC name of N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine (CID 3781) is N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine.
What is the SMILES notation for N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine?
The canonical SMILES for N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine is CC(CN1c2ccccc2Sc2cccnc21)N(C)C.
What is the InChIKey of N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine?
The InChIKey is OQJBSDFFQWMKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine?
N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine has a molecular weight of 285.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine is sourced from PubChem (CID 3781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).