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

C16H21Cl2N3S — CID 71587927

IUPACN,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride
SMILESCN(C)CCCN1c2ccccc2Sc2cccnc21.Cl.Cl
InChIInChI=1S/C16H19N3S.2ClH/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;2*1H
InChIKeyNESOWNBCLCBENO-UHFFFAOYSA-N
MW358.34 g/mol
LogP4.48
Rot. Bonds4

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

N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride (PubChem CID 71587927) has the molecular formula C16H21Cl2N3S and a molecular weight of 358.34 g/mol. Its IUPAC name is N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride
PubChem CID71587927
Molecular FormulaC16H21Cl2N3S
Molecular Weight358.34 g/mol
Exact Mass357.08
IUPAC NameN,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride
SMILESCN(C)CCCN1c2ccccc2Sc2cccnc21.Cl.Cl
InChIInChI=1S/C16H19N3S.2ClH/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;2*1H
InChIKeyNESOWNBCLCBENO-UHFFFAOYSA-N
XLogP4.48
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride?
The IUPAC name of N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride (CID 71587927) is N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride is CN(C)CCCN1c2ccccc2Sc2cccnc21.Cl.Cl.
What is the InChIKey of N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride?
The InChIKey is NESOWNBCLCBENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S.2ClH/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;2*1H.
What are the key properties of N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride?
N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride has a molecular weight of 358.34 g/mol, XLogP of 4.48, 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;dihydrochloride is sourced from PubChem (CID 71587927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).