4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine

C23H30N2O3S — CID 24886365

IUPAC4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H30N2O3S/c1-19-3-2-13-24(19)14-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)29(26,27)25-15-17-28-18-16-25/h4-11,19H,2-3,12-18H2,1H3/t19-/m1/s1
InChIKeyIZNDREQWHAUAMX-LJQANCHMSA-N
MW414.57 g/mol
LogP3.40
Rot. Bonds6

About 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine

4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine (PubChem CID 24886365) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine
PubChem CID24886365
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H30N2O3S/c1-19-3-2-13-24(19)14-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)29(26,27)25-15-17-28-18-16-25/h4-11,19H,2-3,12-18H2,1H3/t19-/m1/s1
InChIKeyIZNDREQWHAUAMX-LJQANCHMSA-N
XLogP3.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine (CID 24886365) is 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine is C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine?
The InChIKey is IZNDREQWHAUAMX-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-19-3-2-13-24(19)14-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)29(26,27)25-15-17-28-18-16-25/h4-11,19H,2-3,12-18H2,1H3/t19-/m1/s1.
What are the key properties of 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine?
4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine has a molecular weight of 414.57 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 24886365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).