(2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine

C24H25NO3S — CID 134953520

IUPAC(2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine
SMILESCc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)CO[C@@H](c3ccccc3)[C@H]2C)cc1
InChIInChI=1S/C24H25NO3S/c1-18-13-15-22(16-14-18)29(26,27)25-19(2)24(21-11-7-4-8-12-21)28-17-23(25)20-9-5-3-6-10-20/h3-16,19,23-24H,17H2,1-2H3/t19-,23-,24-/m1/s1
InChIKeyQYTIIOXEWCISLH-CTUHWIOQSA-N
MW407.54 g/mol
LogP4.89
Rot. Bonds4

About (2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine

(2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine (PubChem CID 134953520) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is (2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine.

Molecular Properties

Compound Name(2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine
PubChem CID134953520
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Name(2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine
SMILESCc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)CO[C@@H](c3ccccc3)[C@H]2C)cc1
InChIInChI=1S/C24H25NO3S/c1-18-13-15-22(16-14-18)29(26,27)25-19(2)24(21-11-7-4-8-12-21)28-17-23(25)20-9-5-3-6-10-20/h3-16,19,23-24H,17H2,1-2H3/t19-,23-,24-/m1/s1
InChIKeyQYTIIOXEWCISLH-CTUHWIOQSA-N
XLogP4.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-bromo-N-(1-phenylmethoxybut-3-en-2-yl)benzenesulfonamide
CID 16746519
(R,R)-Ts-DENEB(regR)
CID 121235224
(S,S)-Ts-DENEB(regR)
CID 121235453
2-benzyl-4-methylidene-3-(phenylmethoxymethyl)-3H-1lambda6,2-benzothiazine 1,1-dioxide
CID 16746524
(6R,7S)-6-methyl-5-[(4-methylphenyl)methyl]-7-phenyl-1,4,5-oxathiazepane 4,4-dioxide
CID 25011633
9-Benzyl-1,5-bis[[4-(butoxymethyl)phenyl]sulfonyl]-3-methylene-1,5,9-triazacyclododecane
CID 3011742
1,3-Oxazine, tetrahydro-3-((4-methylphenyl)sulfonyl)-6-(4-morpholinylmethyl)-2-phenyl-
CID 218558
6-(Methoxymethyl)-3-(4-methylbenzene-1-sulfonyl)-2-phenyl-1,3-oxazinane
CID 218606
4-((2,5-Difluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895232
4-((2-Fluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895234
(6R,7S)-5-benzyl-6-methyl-7-phenyl-1,4,5-oxathiazepane 4,4-dioxide
CID 25011628
3-[Bis(4-fluorophenyl)methoxy]-8-(4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 44357565

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine?
The IUPAC name of (2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine (CID 134953520) is (2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine.
What is the SMILES notation for (2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine?
The canonical SMILES for (2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine is Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)CO[C@@H](c3ccccc3)[C@H]2C)cc1.
What is the InChIKey of (2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine?
The InChIKey is QYTIIOXEWCISLH-CTUHWIOQSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-18-13-15-22(16-14-18)29(26,27)25-19(2)24(21-11-7-4-8-12-21)28-17-23(25)20-9-5-3-6-10-20/h3-16,19,23-24H,17H2,1-2H3/t19-,23-,24-/m1/s1.
What are the key properties of (2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine?
(2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine has a molecular weight of 407.54 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenylmorpholine is sourced from PubChem (CID 134953520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).