morpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone

C18H26N2O5S — CID 110196830

IUPACmorpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone
SMILESCCCS(=O)(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H26N2O5S/c1-2-12-26(22,23)20-14-16(25-15-6-4-3-5-7-15)13-17(20)18(21)19-8-10-24-11-9-19/h3-7,16-17H,2,8-14H2,1H3/t16-,17+/m0/s1
InChIKeyCEUDWISOPJUQFB-DLBZAZTESA-N
MW382.48 g/mol
LogP1.11
Rot. Bonds6

About morpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone

morpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone (PubChem CID 110196830) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is morpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone
PubChem CID110196830
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Namemorpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone
SMILESCCCS(=O)(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H26N2O5S/c1-2-12-26(22,23)20-14-16(25-15-6-4-3-5-7-15)13-17(20)18(21)19-8-10-24-11-9-19/h3-7,16-17H,2,8-14H2,1H3/t16-,17+/m0/s1
InChIKeyCEUDWISOPJUQFB-DLBZAZTESA-N
XLogP1.11
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone (CID 110196830) is morpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone is CCCS(=O)(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone?
The InChIKey is CEUDWISOPJUQFB-DLBZAZTESA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-2-12-26(22,23)20-14-16(25-15-6-4-3-5-7-15)13-17(20)18(21)19-8-10-24-11-9-19/h3-7,16-17H,2,8-14H2,1H3/t16-,17+/m0/s1.
What are the key properties of morpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone?
morpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone has a molecular weight of 382.48 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(2R,4S)-4-phenoxy-1-propylsulfonylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 110196830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).