4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine

C22H29N3O3S — CID 124500065

IUPAC4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cnc(N3CCOCC3)cc2C)cc1
InChIInChI=1S/C22H29N3O3S/c1-17-6-8-19(9-7-17)29(26,27)25-10-4-3-5-21(25)20-16-23-22(15-18(20)2)24-11-13-28-14-12-24/h6-9,15-16,21H,3-5,10-14H2,1-2H3/t21-/m0/s1
InChIKeyURQXLXLTYGTUPD-NRFANRHFSA-N
MW415.56 g/mol
LogP3.45
Rot. Bonds4

About 4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine

4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine (PubChem CID 124500065) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine
PubChem CID124500065
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cnc(N3CCOCC3)cc2C)cc1
InChIInChI=1S/C22H29N3O3S/c1-17-6-8-19(9-7-17)29(26,27)25-10-4-3-5-21(25)20-16-23-22(15-18(20)2)24-11-13-28-14-12-24/h6-9,15-16,21H,3-5,10-14H2,1-2H3/t21-/m0/s1
InChIKeyURQXLXLTYGTUPD-NRFANRHFSA-N
XLogP3.45
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine
CID 124500244
4-[4-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]morpholine
CID 102543259
2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine
CID 102543030
4-[5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyridinyl]morpholine
CID 102543280
2-(2,5-dimethylpyrrol-1-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102541906
(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
2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102543313
6-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-1H-pyridin-2-one
CID 102542654
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
6-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-1H-pyridine-2-thione
CID 102542750
2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102539403
(2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500923

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine (CID 124500065) is 4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine is Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cnc(N3CCOCC3)cc2C)cc1.
What is the InChIKey of 4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine?
The InChIKey is URQXLXLTYGTUPD-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-17-6-8-19(9-7-17)29(26,27)25-10-4-3-5-21(25)20-16-23-22(15-18(20)2)24-11-13-28-14-12-24/h6-9,15-16,21H,3-5,10-14H2,1-2H3/t21-/m0/s1.
What are the key properties of 4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine?
4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine has a molecular weight of 415.56 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 124500065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).