[(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium

C17H26N2O2S+2 — CID 2093747

IUPAC[(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium
SMILESC[NH+](C)[C@H](C[NH2+]C[C@@H](O)COc1ccccc1)c1cccs1
InChIInChI=1S/C17H24N2O2S/c1-19(2)16(17-9-6-10-22-17)12-18-11-14(20)13-21-15-7-4-3-5-8-15/h3-10,14,16,18,20H,11-13H2,1-2H3/p+2/t14-,16-/m1/s1
InChIKeyZUTTXFHZQYLQCD-GDBMZVCRSA-P
MW322.47 g/mol
LogP-0.06
Rot. Bonds9

About [(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium

[(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium (PubChem CID 2093747) has the molecular formula C17H26N2O2S+2 and a molecular weight of 322.47 g/mol. Its IUPAC name is [(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium
PubChem CID2093747
Molecular FormulaC17H26N2O2S+2
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name[(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium
SMILESC[NH+](C)[C@H](C[NH2+]C[C@@H](O)COc1ccccc1)c1cccs1
InChIInChI=1S/C17H24N2O2S/c1-19(2)16(17-9-6-10-22-17)12-18-11-14(20)13-21-15-7-4-3-5-8-15/h3-10,14,16,18,20H,11-13H2,1-2H3/p+2/t14-,16-/m1/s1
InChIKeyZUTTXFHZQYLQCD-GDBMZVCRSA-P
XLogP-0.06
TPSA50.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium with MolForge

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Related Compounds

(2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol
CID 2093744
[(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-(thiophen-2-ylmethyl)azanium
CID 2109948
N-methyl-2-phenoxy-1-thiophen-2-ylethanamine
CID 62715336
1-(4-propan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959117
1-(4-bromophenoxy)-3-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408393
(4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium
CID 2077749
4-phenoxy-1-thiophen-2-ylbutan-1-ol
CID 114990149
1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol
CID 70556927
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 158587241
ethane;1-phenoxypropan-2-ol
CID 90926921
3-phenoxypropane-1,2-diol
CID 10857

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium (CID 2093747) is [(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium is C[NH+](C)[C@H](C[NH2+]C[C@@H](O)COc1ccccc1)c1cccs1.
What is the InChIKey of [(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium?
The InChIKey is ZUTTXFHZQYLQCD-GDBMZVCRSA-P. The full InChI is InChI=1S/C17H24N2O2S/c1-19(2)16(17-9-6-10-22-17)12-18-11-14(20)13-21-15-7-4-3-5-8-15/h3-10,14,16,18,20H,11-13H2,1-2H3/p+2/t14-,16-/m1/s1.
What are the key properties of [(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium?
[(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium has a molecular weight of 322.47 g/mol, XLogP of -0.06, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium is sourced from PubChem (CID 2093747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).