N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide

C15H20FN3O4S — CID 51567796

IUPACN-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide
SMILESO=C(N[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)N1CCOCC1
InChIInChI=1S/C15H20FN3O4S/c16-12-4-1-2-5-13(12)24(21,22)19-7-3-6-14(19)17-15(20)18-8-10-23-11-9-18/h1-2,4-5,14H,3,6-11H2,(H,17,20)/t14-/m0/s1
InChIKeyWFYCTJGQVPETBZ-AWEZNQCLSA-N
MW357.41 g/mol
LogP0.98
Rot. Bonds3

About N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide

N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide (PubChem CID 51567796) has the molecular formula C15H20FN3O4S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide
PubChem CID51567796
Molecular FormulaC15H20FN3O4S
Molecular Weight357.41 g/mol
Exact Mass357.12
IUPAC NameN-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide
SMILESO=C(N[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)N1CCOCC1
InChIInChI=1S/C15H20FN3O4S/c16-12-4-1-2-5-13(12)24(21,22)19-7-3-6-14(19)17-15(20)18-8-10-23-11-9-18/h1-2,4-5,14H,3,6-11H2,(H,17,20)/t14-/m0/s1
InChIKeyWFYCTJGQVPETBZ-AWEZNQCLSA-N
XLogP0.98
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide (CID 51567796) is N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide is O=C(N[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide?
The InChIKey is WFYCTJGQVPETBZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20FN3O4S/c16-12-4-1-2-5-13(12)24(21,22)19-7-3-6-14(19)17-15(20)18-8-10-23-11-9-18/h1-2,4-5,14H,3,6-11H2,(H,17,20)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 51567796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).