[(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium

C19H25N2OS+ — CID 6919170

IUPAC[(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium
SMILESCOc1ccc2c(c1)N(C[C@H](C)C[NH+](C)C)c1ccccc1S2
InChIInChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/p+1/t14-/m1/s1
InChIKeyVRQVVMDWGGWHTJ-CQSZACIVSA-O
MW329.49 g/mol
LogP3.08
Rot. Bonds5

About [(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium

[(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium (PubChem CID 6919170) has the molecular formula C19H25N2OS+ and a molecular weight of 329.49 g/mol. Its IUPAC name is [(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium.

Molecular Properties

Compound Name[(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium
PubChem CID6919170
Molecular FormulaC19H25N2OS+
Molecular Weight329.49 g/mol
Exact Mass329.17
IUPAC Name[(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium
SMILESCOc1ccc2c(c1)N(C[C@H](C)C[NH+](C)C)c1ccccc1S2
InChIInChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/p+1/t14-/m1/s1
InChIKeyVRQVVMDWGGWHTJ-CQSZACIVSA-O
XLogP3.08
TPSA16.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride
CID 57347647
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
2,3-dihydroxybutanedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 90213954
3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 18847
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
2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine
CID 58293895
(2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 15558621
2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine
CID 53298655
1-(4-methoxyanilino)-3-phenothiazin-10-ylpropan-2-ol
CID 2897582
(2S)-1-(4-methoxyanilino)-3-phenothiazin-10-ylpropan-2-ol
CID 1186401
3-methoxy-10-methylphenothiazine
CID 18761115

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium?
The IUPAC name of [(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium (CID 6919170) is [(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium.
What is the SMILES notation for [(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium?
The canonical SMILES for [(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium is COc1ccc2c(c1)N(C[C@H](C)C[NH+](C)C)c1ccccc1S2.
What is the InChIKey of [(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium?
The InChIKey is VRQVVMDWGGWHTJ-CQSZACIVSA-O. The full InChI is InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/p+1/t14-/m1/s1.
What are the key properties of [(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium?
[(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium has a molecular weight of 329.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium is sourced from PubChem (CID 6919170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).