(2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine

C18H21NO4S — CID 44578924

IUPAC(2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine
SMILESCS(=O)(=O)c1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H21NO4S/c1-24(20,21)17-10-6-5-9-15(17)23-18(14-7-3-2-4-8-14)16-13-19-11-12-22-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1
InChIKeyFUONWQQDHNHFGH-WMZOPIPTSA-N
MW347.44 g/mol
LogP2.20
Rot. Bonds5

About (2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine

(2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine (PubChem CID 44578924) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine
PubChem CID44578924
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name(2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine
SMILESCS(=O)(=O)c1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H21NO4S/c1-24(20,21)17-10-6-5-9-15(17)23-18(14-7-3-2-4-8-14)16-13-19-11-12-22-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1
InChIKeyFUONWQQDHNHFGH-WMZOPIPTSA-N
XLogP2.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 127150
Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate
CID 6917839
(S)-2-[(R)-(2-Ethoxy-phenoxy)-phenyl-methyl]-morpholine
CID 11594827
(2S)-2-[(S)-[2-(2-fluoroethoxy)phenyl]sulfanyl-phenylmethyl]morpholine
CID 44457051
2-methoxy-5-[(2R)-2-[2-(2-propan-2-yloxyphenoxy)ethylamino]propyl]benzenesulfonamide
CID 50905381
Reboxetine mesylate hydrate
CID 16079002
(2S)-2-[(S)-(2-methylsulfanylphenoxy)-phenylmethyl]morpholine
CID 44457059
N-methyl((3S,4S)-4-(2-(methylthio)phenoxy)-3,4-dihydro-1H-isochromen-3-yl)methanamine
CID 44587390
(2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine
CID 24936132
N-methyl((3R,4S)-4-(2-(methylthio)phenoxy)-3,4-dihydro-1H-isochromen-3-yl)methanamine
CID 44587389
2-methoxy-5-[(2R)-2-[[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]propyl]benzenesulfonamide
CID 50905588
2-methoxy-5-[(2R)-2-[[(2R,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]propyl]benzenesulfonamide
CID 50905589

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine?
The IUPAC name of (2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine (CID 44578924) is (2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine is CS(=O)(=O)c1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine?
The InChIKey is FUONWQQDHNHFGH-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-24(20,21)17-10-6-5-9-15(17)23-18(14-7-3-2-4-8-14)16-13-19-11-12-22-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1.
What are the key properties of (2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine?
(2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine has a molecular weight of 347.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(2-methylsulfonylphenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 44578924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).