10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol

C17H20N2OS — CID 57369155

IUPAC10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol
SMILES[2H]C([2H])([2H])N(CCCN1c2ccccc2Sc2ccc(O)cc21)C([2H])([2H])[2H]
InChIInChI=1S/C17H20N2OS/c1-18(2)10-5-11-19-14-6-3-4-7-16(14)21-17-9-8-13(20)12-15(17)19/h3-4,6-9,12,20H,5,10-11H2,1-2H3/i1D3,2D3
InChIKeyYMVFQWULFRMLRA-WFGJKAKNSA-N
MW306.46 g/mol
LogP3.95
Rot. Bonds6

About 10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol

10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol (PubChem CID 57369155) has the molecular formula C17H20N2OS and a molecular weight of 306.46 g/mol. Its IUPAC name is 10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol.

Molecular Properties

Compound Name10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol
PubChem CID57369155
Molecular FormulaC17H20N2OS
Molecular Weight306.46 g/mol
Exact Mass306.17
IUPAC Name10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol
SMILES[2H]C([2H])([2H])N(CCCN1c2ccccc2Sc2ccc(O)cc21)C([2H])([2H])[2H]
InChIInChI=1S/C17H20N2OS/c1-18(2)10-5-11-19-14-6-3-4-7-16(14)21-17-9-8-13(20)12-15(17)19/h3-4,6-9,12,20H,5,10-11H2,1-2H3/i1D3,2D3
InChIKeyYMVFQWULFRMLRA-WFGJKAKNSA-N
XLogP3.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol?
The IUPAC name of 10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol (CID 57369155) is 10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol.
What is the SMILES notation for 10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol?
The canonical SMILES for 10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol is [2H]C([2H])([2H])N(CCCN1c2ccccc2Sc2ccc(O)cc21)C([2H])([2H])[2H].
What is the InChIKey of 10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol?
The InChIKey is YMVFQWULFRMLRA-WFGJKAKNSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-18(2)10-5-11-19-14-6-3-4-7-16(14)21-17-9-8-13(20)12-15(17)19/h3-4,6-9,12,20H,5,10-11H2,1-2H3/i1D3,2D3.
What are the key properties of 10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol?
10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol has a molecular weight of 306.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol is sourced from PubChem (CID 57369155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).