cyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium

C20H33N2O5S+ — CID 2331104

IUPACcyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium
SMILESC[NH+](C[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C20H32N2O5S/c1-21(17-5-3-2-4-6-17)15-18(23)16-27-19-7-9-20(10-8-19)28(24,25)22-11-13-26-14-12-22/h7-10,17-18,23H,2-6,11-16H2,1H3/p+1/t18-/m1/s1
InChIKeyJAAWIAFOLYWFDX-GOSISDBHSA-O
MW413.56 g/mol
LogP0.29
Rot. Bonds8

About cyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium

cyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium (PubChem CID 2331104) has the molecular formula C20H33N2O5S+ and a molecular weight of 413.56 g/mol. Its IUPAC name is cyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium.

Molecular Properties

Compound Namecyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium
PubChem CID2331104
Molecular FormulaC20H33N2O5S+
Molecular Weight413.56 g/mol
Exact Mass413.21
IUPAC Namecyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium
SMILESC[NH+](C[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C20H32N2O5S/c1-21(17-5-3-2-4-6-17)15-18(23)16-27-19-7-9-20(10-8-19)28(24,25)22-11-13-26-14-12-22/h7-10,17-18,23H,2-6,11-16H2,1H3/p+1/t18-/m1/s1
InChIKeyJAAWIAFOLYWFDX-GOSISDBHSA-O
XLogP0.29
TPSA80.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 7746018
(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 30729738
(2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 2331078
cyclohexyl-[(2R)-2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-methylazanium
CID 2359529
cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium
CID 6945163
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 2331090
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 2999407
(2R)-N-cyclopentyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332126
4-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 9333066
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9333015
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
CID 55449133
hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride
CID 2998562

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium?
The IUPAC name of cyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium (CID 2331104) is cyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium.
What is the SMILES notation for cyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium?
The canonical SMILES for cyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium is C[NH+](C[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium?
The InChIKey is JAAWIAFOLYWFDX-GOSISDBHSA-O. The full InChI is InChI=1S/C20H32N2O5S/c1-21(17-5-3-2-4-6-17)15-18(23)16-27-19-7-9-20(10-8-19)28(24,25)22-11-13-26-14-12-22/h7-10,17-18,23H,2-6,11-16H2,1H3/p+1/t18-/m1/s1.
What are the key properties of cyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium?
cyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium has a molecular weight of 413.56 g/mol, XLogP of 0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2R)-2-hydroxy-3-(4-morpholin-4-ylsulfonylphenoxy)propyl]-methylazanium is sourced from PubChem (CID 2331104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).