4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine

C21H27N3O3S — CID 124500244

IUPAC4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCOCC3)nc2C)cc1
InChIInChI=1S/C21H27N3O3S/c1-16-5-7-18(8-6-16)28(25,26)24-11-3-4-20(24)19-9-10-21(22-17(19)2)23-12-14-27-15-13-23/h5-10,20H,3-4,11-15H2,1-2H3/t20-/m1/s1
InChIKeyJDZCFZAVTSECIJ-HXUWFJFHSA-N
MW401.53 g/mol
LogP3.06
Rot. Bonds4

About 4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine

4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine (PubChem CID 124500244) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine
PubChem CID124500244
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCOCC3)nc2C)cc1
InChIInChI=1S/C21H27N3O3S/c1-16-5-7-18(8-6-16)28(25,26)24-11-3-4-20(24)19-9-10-21(22-17(19)2)23-12-14-27-15-13-23/h5-10,20H,3-4,11-15H2,1-2H3/t20-/m1/s1
InChIKeyJDZCFZAVTSECIJ-HXUWFJFHSA-N
XLogP3.06
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine
CID 102543030
6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine
CID 102542824
4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine
CID 124500065
1-[(2R)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 124500229
4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine
CID 102543376
4-[6-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-2-pyridinyl]morpholine
CID 124500255
(7aR,11aR)-1,7-bis-(4-methylphenyl)sulfonyl-2,3,5,6,7a,8,9,10,11,11a-decahydrobenzo[e][1,4,7]oxadiazonine
CID 101249935
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
6-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-1H-pyridin-2-one
CID 102542654

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine (CID 124500244) is 4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine is Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCOCC3)nc2C)cc1.
What is the InChIKey of 4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine?
The InChIKey is JDZCFZAVTSECIJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-16-5-7-18(8-6-16)28(25,26)24-11-3-4-20(24)19-9-10-21(22-17(19)2)23-12-14-27-15-13-23/h5-10,20H,3-4,11-15H2,1-2H3/t20-/m1/s1.
What are the key properties of 4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine?
4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine has a molecular weight of 401.53 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 124500244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).