(2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine

C14H21NO3S — CID 170362297

IUPAC(2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine
SMILESCc1ccc(C[C@H]2CO[C@@H](CS(C)(=O)=O)CN2)cc1
InChIInChI=1S/C14H21NO3S/c1-11-3-5-12(6-4-11)7-13-9-18-14(8-15-13)10-19(2,16)17/h3-6,13-15H,7-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyCFSFMWOKGBXWJH-UONOGXRCSA-N
MW283.39 g/mol
LogP0.94
Rot. Bonds4

About (2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine

(2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine (PubChem CID 170362297) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine.

Molecular Properties

Compound Name(2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine
PubChem CID170362297
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine
SMILESCc1ccc(C[C@H]2CO[C@@H](CS(C)(=O)=O)CN2)cc1
InChIInChI=1S/C14H21NO3S/c1-11-3-5-12(6-4-11)7-13-9-18-14(8-15-13)10-19(2,16)17/h3-6,13-15H,7-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyCFSFMWOKGBXWJH-UONOGXRCSA-N
XLogP0.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Ethylsulfonyl)-2-(3-phenylpropyl)morpholine
CID 45186708
4-(Isopropylsulfonyl)-2-(2-phenylethyl)morpholine
CID 45198706
(3S,6R)-2-[[2-fluoro-4-(oxan-4-ylidenemethyl)phenyl]methyl]-3-methyl-6-phenyl-1,4-thiazinane 1,1-dioxide
CID 118223162
2-(Fluoromethyl)-5-[(4-methylphenyl)methyl]morpholine
CID 156031535
2-(1-Fluoroethyl)-5-[(4-methylphenyl)methyl]morpholine
CID 156031578
1-(oxan-2-yl)-N-[[4-[(2S)-1,1,1-trifluoro-3-methylsulfonylpropan-2-yl]phenyl]methyl]methanamine;hydrochloride
CID 157220059
1-(oxan-2-yl)-N-[[4-[(2S)-1,1,1-trifluoro-3-methylsulfonylpropan-2-yl]phenyl]methyl]methanamine
CID 157220060
(2R,5S)-2-(methylsulfonylmethyl)-5-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 169321219
2-(Methylsulfinylmethyl)-5-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 170361460
N-[1,4-oxathian-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 79959327
N-ethyl-1-(1,4-oxathian-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79962191
N-ethyl-1-(1,4-oxathian-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 79962195

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine?
The IUPAC name of (2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine (CID 170362297) is (2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine.
What is the SMILES notation for (2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine?
The canonical SMILES for (2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine is Cc1ccc(C[C@H]2CO[C@@H](CS(C)(=O)=O)CN2)cc1.
What is the InChIKey of (2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine?
The InChIKey is CFSFMWOKGBXWJH-UONOGXRCSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-3-5-12(6-4-11)7-13-9-18-14(8-15-13)10-19(2,16)17/h3-6,13-15H,7-10H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine?
(2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine has a molecular weight of 283.39 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(4-methylphenyl)methyl]-2-(methylsulfonylmethyl)morpholine is sourced from PubChem (CID 170362297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).