1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol

C17H26N2O5S — CID 4538242

IUPAC1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESO=S(=O)(c1ccc(OCC(O)CN2CCCC2)cc1)N1CCOCC1
InChIInChI=1S/C17H26N2O5S/c20-15(13-18-7-1-2-8-18)14-24-16-3-5-17(6-4-16)25(21,22)19-9-11-23-12-10-19/h3-6,15,20H,1-2,7-14H2
InChIKeyFYJTUOKFKFJZER-UHFFFAOYSA-N
MW370.47 g/mol
LogP0.54
Rot. Bonds7

About 1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol

1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 4538242) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID4538242
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESO=S(=O)(c1ccc(OCC(O)CN2CCCC2)cc1)N1CCOCC1
InChIInChI=1S/C17H26N2O5S/c20-15(13-18-7-1-2-8-18)14-24-16-3-5-17(6-4-16)25(21,22)19-9-11-23-12-10-19/h3-6,15,20H,1-2,7-14H2
InChIKeyFYJTUOKFKFJZER-UHFFFAOYSA-N
XLogP0.54
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol (CID 4538242) is 1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol is O=S(=O)(c1ccc(OCC(O)CN2CCCC2)cc1)N1CCOCC1.
What is the InChIKey of 1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is FYJTUOKFKFJZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c20-15(13-18-7-1-2-8-18)14-24-16-3-5-17(6-4-16)25(21,22)19-9-11-23-12-10-19/h3-6,15,20H,1-2,7-14H2.
What are the key properties of 1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 370.47 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylsulfonylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 4538242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).