3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride

C15H15ClN2OS — CID 23724315

IUPAC3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C15H14N2OS.ClH/c16-10-9-15(18)17-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)17;/h1-8H,9-10,16H2;1H
InChIKeyZKJFPNHMMGRCGN-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.59
Rot. Bonds2

About 3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride

3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride (PubChem CID 23724315) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride
PubChem CID23724315
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C15H14N2OS.ClH/c16-10-9-15(18)17-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)17;/h1-8H,9-10,16H2;1H
InChIKeyZKJFPNHMMGRCGN-UHFFFAOYSA-N
XLogP3.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride (CID 23724315) is 3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride is Cl.NCCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride?
The InChIKey is ZKJFPNHMMGRCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS.ClH/c16-10-9-15(18)17-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)17;/h1-8H,9-10,16H2;1H.
What are the key properties of 3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride?
3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride has a molecular weight of 306.82 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-phenothiazin-10-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 23724315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).