(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol

C24H33N3O5S — CID 30729738

IUPAC(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
SMILESO=S(=O)(c1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1)N1CCOCC1
InChIInChI=1S/C24H33N3O5S/c28-22(19-26-12-10-25(11-13-26)18-21-4-2-1-3-5-21)20-32-23-6-8-24(9-7-23)33(29,30)27-14-16-31-17-15-27/h1-9,22,28H,10-20H2/t22-/m0/s1
InChIKeyBNKSRIUUBLAFMB-QFIPXVFZSA-N
MW475.61 g/mol
LogP1.26
Rot. Bonds9

About (2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol

(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol (PubChem CID 30729738) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is (2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
PubChem CID30729738
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Name(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
SMILESO=S(=O)(c1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1)N1CCOCC1
InChIInChI=1S/C24H33N3O5S/c28-22(19-26-12-10-25(11-13-26)18-21-4-2-1-3-5-21)20-32-23-6-8-24(9-7-23)33(29,30)27-14-16-31-17-15-27/h1-9,22,28H,10-20H2/t22-/m0/s1
InChIKeyBNKSRIUUBLAFMB-QFIPXVFZSA-N
XLogP1.26
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 4829654
(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
hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride
CID 2998562
(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol
CID 2440202
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
1-(4-methylphenoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46798025
(2R)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 2331078
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
1-(4-benzylpiperazin-1-yl)-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 18593233
1-[4-[3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 44786575
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 1109343

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol (CID 30729738) is (2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol is O=S(=O)(c1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1)N1CCOCC1.
What is the InChIKey of (2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol?
The InChIKey is BNKSRIUUBLAFMB-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H33N3O5S/c28-22(19-26-12-10-25(11-13-26)18-21-4-2-1-3-5-21)20-32-23-6-8-24(9-7-23)33(29,30)27-14-16-31-17-15-27/h1-9,22,28H,10-20H2/t22-/m0/s1.
What are the key properties of (2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol?
(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol has a molecular weight of 475.61 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol is sourced from PubChem (CID 30729738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).