(3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol

C14H19FN2O5S — CID 110147172

IUPAC(3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(N1CCOCC1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O5S/c15-11-2-1-3-12(8-11)22-14-10-17(9-13(14)18)23(19,20)16-4-6-21-7-5-16/h1-3,8,13-14,18H,4-7,9-10H2/t13-,14-/m1/s1
InChIKeyCDQIVDIHGNIZCX-ZIAGYGMSSA-N
MW346.38 g/mol
LogP-0.17
Rot. Bonds4

About (3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol

(3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol (PubChem CID 110147172) has the molecular formula C14H19FN2O5S and a molecular weight of 346.38 g/mol. Its IUPAC name is (3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol
PubChem CID110147172
Molecular FormulaC14H19FN2O5S
Molecular Weight346.38 g/mol
Exact Mass346.10
IUPAC Name(3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(N1CCOCC1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O5S/c15-11-2-1-3-12(8-11)22-14-10-17(9-13(14)18)23(19,20)16-4-6-21-7-5-16/h1-3,8,13-14,18H,4-7,9-10H2/t13-,14-/m1/s1
InChIKeyCDQIVDIHGNIZCX-ZIAGYGMSSA-N
XLogP-0.17
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol (CID 110147172) is (3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol is O=S(=O)(N1CCOCC1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1.
What is the InChIKey of (3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol?
The InChIKey is CDQIVDIHGNIZCX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H19FN2O5S/c15-11-2-1-3-12(8-11)22-14-10-17(9-13(14)18)23(19,20)16-4-6-21-7-5-16/h1-3,8,13-14,18H,4-7,9-10H2/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol?
(3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol has a molecular weight of 346.38 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 110147172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).