(2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine

C21H26FN3O3S — CID 125003032

IUPAC(2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine
SMILESCc1cc(Cc2cccc(F)c2)cc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)n1
InChIInChI=1S/C21H26FN3O3S/c1-16-11-18(12-17-5-4-6-19(22)13-17)14-20(23-16)21-15-25(9-10-28-21)29(26,27)24-7-2-3-8-24/h4-6,11,13-14,21H,2-3,7-10,12,15H2,1H3/t21-/m1/s1
InChIKeySOOJUNTZIMIFSU-OAQYLSRUSA-N
MW419.52 g/mol
LogP2.83
Rot. Bonds5

About (2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine

(2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine (PubChem CID 125003032) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is (2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine.

Molecular Properties

Compound Name(2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine
PubChem CID125003032
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC Name(2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine
SMILESCc1cc(Cc2cccc(F)c2)cc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)n1
InChIInChI=1S/C21H26FN3O3S/c1-16-11-18(12-17-5-4-6-19(22)13-17)14-20(23-16)21-15-25(9-10-28-21)29(26,27)24-7-2-3-8-24/h4-6,11,13-14,21H,2-3,7-10,12,15H2,1H3/t21-/m1/s1
InChIKeySOOJUNTZIMIFSU-OAQYLSRUSA-N
XLogP2.83
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine?
The IUPAC name of (2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine (CID 125003032) is (2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine.
What is the SMILES notation for (2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine?
The canonical SMILES for (2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine is Cc1cc(Cc2cccc(F)c2)cc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)n1.
What is the InChIKey of (2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine?
The InChIKey is SOOJUNTZIMIFSU-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-16-11-18(12-17-5-4-6-19(22)13-17)14-20(23-16)21-15-25(9-10-28-21)29(26,27)24-7-2-3-8-24/h4-6,11,13-14,21H,2-3,7-10,12,15H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine?
(2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine has a molecular weight of 419.52 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine is sourced from PubChem (CID 125003032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).