4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine

C15H23N3O3S — CID 124943452

IUPAC4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCC[C@@H]1CCc1ccncc1
InChIInChI=1S/C15H23N3O3S/c19-22(20,17-10-12-21-13-11-17)18-9-1-2-15(18)4-3-14-5-7-16-8-6-14/h5-8,15H,1-4,9-13H2/t15-/m1/s1
InChIKeyBCQVCFWPVVNOJB-OAHLLOKOSA-N
MW325.43 g/mol
LogP1.06
Rot. Bonds5

About 4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine

4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine (PubChem CID 124943452) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine
PubChem CID124943452
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCC[C@@H]1CCc1ccncc1
InChIInChI=1S/C15H23N3O3S/c19-22(20,17-10-12-21-13-11-17)18-9-1-2-15(18)4-3-14-5-7-16-8-6-14/h5-8,15H,1-4,9-13H2/t15-/m1/s1
InChIKeyBCQVCFWPVVNOJB-OAHLLOKOSA-N
XLogP1.06
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Morpholinyl)-2-(3-pyridinyl)ethanethione
CID 95002
2-(Morpholin-4-yl)-2-(pyrid-3-yl)ethylamine
CID 4988991
3-(4-Morpholinobenzylidene)anabaseine
CID 46702535
Morpholin-4-yl(pyridin-3-yl)acetonitrile
CID 303572
N-(3-Pyridylmethyl)morpholine
CID 87290
Mls003106934
CID 301902
4-(4-Pyridin-3-ylphenyl)morpholine
CID 90937679
3-[5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynoxy]propanenitrile
CID 1807539
4-[(E)-3-phenyl-1-pyridin-2-ylprop-2-enyl]morpholine
CID 15468868
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)cyclobutanamine
CID 25276822
(4-Isobutylbenzyl){[1-(2-methoxyethyl)-4-piperidinyl]methyl}(4-pyridinylmethyl)amine
CID 42291651
2-Methyl-4-(2-pyridin-4-ylethyl)morpholine
CID 45801708

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine (CID 124943452) is 4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCC[C@@H]1CCc1ccncc1.
What is the InChIKey of 4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine?
The InChIKey is BCQVCFWPVVNOJB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N3O3S/c19-22(20,17-10-12-21-13-11-17)18-9-1-2-15(18)4-3-14-5-7-16-8-6-14/h5-8,15H,1-4,9-13H2/t15-/m1/s1.
What are the key properties of 4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine?
4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine has a molecular weight of 325.43 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 124943452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).