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

C21H26ClN3O3S — CID 124983214

IUPAC(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine
SMILESCc1cc(Cc2ccccc2Cl)cc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)n1
InChIInChI=1S/C21H26ClN3O3S/c1-16-12-17(13-18-6-2-3-7-19(18)22)14-20(23-16)21-15-25(10-11-28-21)29(26,27)24-8-4-5-9-24/h2-3,6-7,12,14,21H,4-5,8-11,13,15H2,1H3/t21-/m1/s1
InChIKeyNCHUJNPYEFFKBA-OAQYLSRUSA-N
MW435.98 g/mol
LogP3.35
Rot. Bonds5

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

(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine (PubChem CID 124983214) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine.

Molecular Properties

Compound Name(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine
PubChem CID124983214
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC Name(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine
SMILESCc1cc(Cc2ccccc2Cl)cc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)n1
InChIInChI=1S/C21H26ClN3O3S/c1-16-12-17(13-18-6-2-3-7-19(18)22)14-20(23-16)21-15-25(10-11-28-21)29(26,27)24-8-4-5-9-24/h2-3,6-7,12,14,21H,4-5,8-11,13,15H2,1H3/t21-/m1/s1
InChIKeyNCHUJNPYEFFKBA-OAQYLSRUSA-N
XLogP3.35
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine?
The IUPAC name of (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine (CID 124983214) is (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine.
What is the SMILES notation for (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine?
The canonical SMILES for (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine is Cc1cc(Cc2ccccc2Cl)cc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)n1.
What is the InChIKey of (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine?
The InChIKey is NCHUJNPYEFFKBA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-16-12-17(13-18-6-2-3-7-19(18)22)14-20(23-16)21-15-25(10-11-28-21)29(26,27)24-8-4-5-9-24/h2-3,6-7,12,14,21H,4-5,8-11,13,15H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine?
(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine has a molecular weight of 435.98 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine is sourced from PubChem (CID 124983214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).