Prothipendyl Hydrochloride

C16H20ClN3S — CID 14669

IUPACN,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3.Cl
InChIInChI=1S/C16H19N3S.ClH/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;1H
InChIKeyCQJSAKJMCVSEGU-UHFFFAOYSA-N
MW321.90 g/mol
LogP—
Rot. Bonds4

About Prothipendyl Hydrochloride

Prothipendyl Hydrochloride (PubChem CID 14669) has the molecular formula C16H20ClN3S and a molecular weight of 321.90 g/mol. Its IUPAC name is N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameProthipendyl Hydrochloride
PubChem CID14669
Molecular FormulaC16H20ClN3S
Molecular Weight321.90 g/mol
Exact Mass321.11
IUPAC NameN,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3.Cl
InChIInChI=1S/C16H19N3S.ClH/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;1H
InChIKeyCQJSAKJMCVSEGU-UHFFFAOYSA-N
XLogP—
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity310

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Prothipendyl Hydrochloride?
The IUPAC name of Prothipendyl Hydrochloride (CID 14669) is N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for Prothipendyl Hydrochloride?
The canonical SMILES for Prothipendyl Hydrochloride is CN(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3.Cl.
What is the InChIKey of Prothipendyl Hydrochloride?
The InChIKey is CQJSAKJMCVSEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S.ClH/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;1H.
What are the key properties of Prothipendyl Hydrochloride?
Prothipendyl Hydrochloride has a molecular weight of 321.90 g/mol, XLogP of not available, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Prothipendyl Hydrochloride is sourced from PubChem (CID 14669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).