(2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine

C19H24N2O2S — CID 169442905

IUPAC(2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine
SMILES[2H]C([2H])([2H])N(C)C[C@@H](C)CN1c2ccccc2S(=O)c2ccc(OC)cc21
InChIInChI=1S/C19H24N2O2S/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)24(22)19-10-9-15(23-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-,24?/m1/s1/i2D3
InChIKeyCUJAZGOWDHBZEI-NAIRFVFPSA-N
MW347.50 g/mol
LogP3.51
Rot. Bonds6

About (2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine

(2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine (PubChem CID 169442905) has the molecular formula C19H24N2O2S and a molecular weight of 347.50 g/mol. Its IUPAC name is (2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine.

Molecular Properties

Compound Name(2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine
PubChem CID169442905
Molecular FormulaC19H24N2O2S
Molecular Weight347.50 g/mol
Exact Mass347.17
IUPAC Name(2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine
SMILES[2H]C([2H])([2H])N(C)C[C@@H](C)CN1c2ccccc2S(=O)c2ccc(OC)cc21
InChIInChI=1S/C19H24N2O2S/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)24(22)19-10-9-15(23-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-,24?/m1/s1/i2D3
InChIKeyCUJAZGOWDHBZEI-NAIRFVFPSA-N
XLogP3.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile
CID 95162231
(2R)-3-(2-methoxy-5,5-dioxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine;hydrochloride
CID 129318321
2,3-dihydroxybutanedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 90213954
but-2-enedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 53395205
(Z)-but-2-enedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 6420056
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;(2R)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 86278646
(2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 15558621
trimethyl-[1-(5-oxophenothiazin-10-yl)propan-2-yl]azanium iodide
CID 11744051
(2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-phenothiazin-10-yl-N,N-bis(trideuteriomethyl)propan-1-amine
CID 162642813
[(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium
CID 6919170
(2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride
CID 57347647
[10-(3-methylbutyl)-5-oxophenothiazin-3-yl]methanol
CID 101184161

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine?
The IUPAC name of (2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine (CID 169442905) is (2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine.
What is the SMILES notation for (2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine?
The canonical SMILES for (2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine is [2H]C([2H])([2H])N(C)C[C@@H](C)CN1c2ccccc2S(=O)c2ccc(OC)cc21.
What is the InChIKey of (2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine?
The InChIKey is CUJAZGOWDHBZEI-NAIRFVFPSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)24(22)19-10-9-15(23-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-,24?/m1/s1/i2D3.
What are the key properties of (2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine?
(2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine has a molecular weight of 347.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,2-dimethyl-N-(trideuteriomethyl)propan-1-amine is sourced from PubChem (CID 169442905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).