(2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol

C21H28N2O5S — CID 2331078

IUPAC(2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@H](NC[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C21H28N2O5S/c1-17(18-5-3-2-4-6-18)22-15-19(24)16-28-20-7-9-21(10-8-20)29(25,26)23-11-13-27-14-12-23/h2-10,17,19,22,24H,11-16H2,1H3/t17-,19+/m0/s1
InChIKeyDGUBEVHBQSTJMV-PKOBYXMFSA-N
MW420.53 g/mol
LogP1.80
Rot. Bonds9

About (2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol

(2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol (PubChem CID 2331078) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is (2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
PubChem CID2331078
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name(2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@H](NC[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C21H28N2O5S/c1-17(18-5-3-2-4-6-18)22-15-19(24)16-28-20-7-9-21(10-8-20)29(25,26)23-11-13-27-14-12-23/h2-10,17,19,22,24H,11-16H2,1H3/t17-,19+/m0/s1
InChIKeyDGUBEVHBQSTJMV-PKOBYXMFSA-N
XLogP1.80
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 30729738
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 2331090
(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 7746018
N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide
CID 40616157
hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride
CID 2998562
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7639683
cyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium
CID 2331104
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 2999407
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
CID 133234857
(2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 125487728
1-(morpholin-4-ylamino)-3-phenoxypropan-2-ol
CID 83021932
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate
CID 55934865

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol (CID 2331078) is (2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol is C[C@H](NC[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of (2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
The InChIKey is DGUBEVHBQSTJMV-PKOBYXMFSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-17(18-5-3-2-4-6-18)22-15-19(24)16-28-20-7-9-21(10-8-20)29(25,26)23-11-13-27-14-12-23/h2-10,17,19,22,24H,11-16H2,1H3/t17-,19+/m0/s1.
What are the key properties of (2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
(2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol has a molecular weight of 420.53 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol is sourced from PubChem (CID 2331078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).