(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine

C17H21NO4S — CID 100665177

IUPAC(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine
SMILESCCS(=O)(=O)c1ccccc1N1CCO[C@H](c2ccc(C)o2)C1
InChIInChI=1S/C17H21NO4S/c1-3-23(19,20)17-7-5-4-6-14(17)18-10-11-21-16(12-18)15-9-8-13(2)22-15/h4-9,16H,3,10-12H2,1-2H3/t16-/m0/s1
InChIKeyVPUHGWBKSRNVOL-INIZCTEOSA-N
MW335.43 g/mol
LogP2.96
Rot. Bonds4

About (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine

(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine (PubChem CID 100665177) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine
PubChem CID100665177
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine
SMILESCCS(=O)(=O)c1ccccc1N1CCO[C@H](c2ccc(C)o2)C1
InChIInChI=1S/C17H21NO4S/c1-3-23(19,20)17-7-5-4-6-14(17)18-10-11-21-16(12-18)15-9-8-13(2)22-15/h4-9,16H,3,10-12H2,1-2H3/t16-/m0/s1
InChIKeyVPUHGWBKSRNVOL-INIZCTEOSA-N
XLogP2.96
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
CID 124882973
[3-[2-(5-methylfuran-2-yl)morpholin-4-yl]-4-nitrophenyl]methanol
CID 133438604
2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
CID 133354177
[1-(2-ethylsulfonylphenyl)pyrrolidin-3-yl]methanamine
CID 62063097
4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine
CID 133451752
1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine
CID 103577492
(2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine
CID 100664431
(2R)-2-(5-methylfuran-2-yl)-4-(2-thiophen-2-ylethylsulfonyl)morpholine
CID 99843979
(2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide
CID 100743992
2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine
CID 56557020
N-ethyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine
CID 60807769
1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone
CID 63844803

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine?
The IUPAC name of (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine (CID 100665177) is (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine.
What is the SMILES notation for (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine?
The canonical SMILES for (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine is CCS(=O)(=O)c1ccccc1N1CCO[C@H](c2ccc(C)o2)C1.
What is the InChIKey of (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine?
The InChIKey is VPUHGWBKSRNVOL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-3-23(19,20)17-7-5-4-6-14(17)18-10-11-21-16(12-18)15-9-8-13(2)22-15/h4-9,16H,3,10-12H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine?
(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine has a molecular weight of 335.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine is sourced from PubChem (CID 100665177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).