1-phenothiazin-10-ylpropylphosphonic acid

C15H16NO3PS — CID 69302090

IUPAC1-phenothiazin-10-ylpropylphosphonic acid
SMILESCCC(N1c2ccccc2Sc2ccccc21)P(=O)(O)O
InChIInChI=1S/C15H16NO3PS/c1-2-15(20(17,18)19)16-11-7-3-5-9-13(11)21-14-10-6-4-8-12(14)16/h3-10,15H,2H2,1H3,(H2,17,18,19)
InChIKeyDHVOWUQZYLHAMM-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.20
Rot. Bonds3

About 1-phenothiazin-10-ylpropylphosphonic acid

1-phenothiazin-10-ylpropylphosphonic acid (PubChem CID 69302090) has the molecular formula C15H16NO3PS and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-phenothiazin-10-ylpropylphosphonic acid.

Molecular Properties

Compound Name1-phenothiazin-10-ylpropylphosphonic acid
PubChem CID69302090
Molecular FormulaC15H16NO3PS
Molecular Weight321.34 g/mol
Exact Mass321.06
IUPAC Name1-phenothiazin-10-ylpropylphosphonic acid
SMILESCCC(N1c2ccccc2Sc2ccccc21)P(=O)(O)O
InChIInChI=1S/C15H16NO3PS/c1-2-15(20(17,18)19)16-11-7-3-5-9-13(11)21-14-10-6-4-8-12(14)16/h3-10,15H,2H2,1H3,(H2,17,18,19)
InChIKeyDHVOWUQZYLHAMM-UHFFFAOYSA-N
XLogP4.20
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid
CID 69302089
10-(3-methylbutan-2-yl)phenothiazine
CID 153119553
3-methyl-1-phenothiazin-10-ylbutan-2-one
CID 79395572
10-(2,2-dimethylpropyl)phenothiazine
CID 69273925
10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide
CID 19020520
N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide
CID 2936908
2-methylidene-3-propan-2-yl-1,3-benzothiazole
CID 90295857
N-[(1S)-2,2,2-trichloro-1-phenothiazin-10-ylethyl]benzamide
CID 95864970
3-(diethylamino)-2-methyl-1-phenothiazin-10-ylbutan-1-one
CID 3029960
N-(1-hydroxybutan-2-yl)-3-phenothiazin-10-ylpropanamide
CID 112771464
ethyl sulfate;pentan-3-yl(2-phenothiazin-10-ylpropyl)azanium
CID 21119980
2-methylpropyl phenothiazine-10-carboxylate
CID 139765578

Frequently Asked Questions

What is the IUPAC name of 1-phenothiazin-10-ylpropylphosphonic acid?
The IUPAC name of 1-phenothiazin-10-ylpropylphosphonic acid (CID 69302090) is 1-phenothiazin-10-ylpropylphosphonic acid.
What is the SMILES notation for 1-phenothiazin-10-ylpropylphosphonic acid?
The canonical SMILES for 1-phenothiazin-10-ylpropylphosphonic acid is CCC(N1c2ccccc2Sc2ccccc21)P(=O)(O)O.
What is the InChIKey of 1-phenothiazin-10-ylpropylphosphonic acid?
The InChIKey is DHVOWUQZYLHAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16NO3PS/c1-2-15(20(17,18)19)16-11-7-3-5-9-13(11)21-14-10-6-4-8-12(14)16/h3-10,15H,2H2,1H3,(H2,17,18,19).
What are the key properties of 1-phenothiazin-10-ylpropylphosphonic acid?
1-phenothiazin-10-ylpropylphosphonic acid has a molecular weight of 321.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenothiazin-10-ylpropylphosphonic acid is sourced from PubChem (CID 69302090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).