(2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine

C21H27NO3S — CID 160875718

IUPAC(2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine
SMILESC[C@@H](CS(C)(=O)=O)c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C21H27NO3S/c1-17(16-26(2,23)24)19-10-8-18(9-11-19)14-22-12-13-25-21(15-22)20-6-4-3-5-7-20/h3-11,17,21H,12-16H2,1-2H3/t17-,21+/m0/s1
InChIKeySMJCGRZSQSGLGN-LAUBAEHRSA-N
MW373.52 g/mol
LogP3.41
Rot. Bonds6

About (2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine

(2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine (PubChem CID 160875718) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is (2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine.

Molecular Properties

Compound Name(2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine
PubChem CID160875718
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name(2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine
SMILESC[C@@H](CS(C)(=O)=O)c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C21H27NO3S/c1-17(16-26(2,23)24)19-10-8-18(9-11-19)14-22-12-13-25-21(15-22)20-6-4-3-5-7-20/h3-11,17,21H,12-16H2,1-2H3/t17-,21+/m0/s1
InChIKeySMJCGRZSQSGLGN-LAUBAEHRSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
4-(2-methylpropyl)-2-phenylmorpholine
CID 6430937
1-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-4-propan-2-ylpiperidine;hydrochloride
CID 159929347
N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine
CID 86670013
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylmorpholine
CID 131900950
4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine
CID 66654478
4-benzyl-2-[4-(2-chlorophenyl)sulfonylphenyl]morpholine;4-benzyl-2-[4-(2,6-dichlorophenyl)sulfonylphenyl]morpholine
CID 172795618
(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352433
N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
1-(4-methylphenyl)-N-[2-(2-phenylmorpholin-4-yl)ethyl]methanesulfonamide
CID 16892749
3-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]benzoic acid
CID 122034855

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine?
The IUPAC name of (2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine (CID 160875718) is (2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine.
What is the SMILES notation for (2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine?
The canonical SMILES for (2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine is C[C@@H](CS(C)(=O)=O)c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of (2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine?
The InChIKey is SMJCGRZSQSGLGN-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-17(16-26(2,23)24)19-10-8-18(9-11-19)14-22-12-13-25-21(15-22)20-6-4-3-5-7-20/h3-11,17,21H,12-16H2,1-2H3/t17-,21+/m0/s1.
What are the key properties of (2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine?
(2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine has a molecular weight of 373.52 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]-2-phenylmorpholine is sourced from PubChem (CID 160875718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).