(2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine

C19H23NO5S — CID 7353221

IUPAC(2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)[C@H]2C)cc1OC
InChIInChI=1S/C19H23NO5S/c1-14-19(15-7-5-4-6-8-15)25-12-11-20(14)26(21,22)16-9-10-17(23-2)18(13-16)24-3/h4-10,13-14,19H,11-12H2,1-3H3/t14-,19-/m1/s1
InChIKeyHYFKLXRWAOTCQV-AUUYWEPGSA-N
MW377.46 g/mol
LogP2.85
Rot. Bonds5

About (2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine

(2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine (PubChem CID 7353221) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is (2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name(2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine
PubChem CID7353221
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name(2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)[C@H]2C)cc1OC
InChIInChI=1S/C19H23NO5S/c1-14-19(15-7-5-4-6-8-15)25-12-11-20(14)26(21,22)16-9-10-17(23-2)18(13-16)24-3/h4-10,13-14,19H,11-12H2,1-3H3/t14-,19-/m1/s1
InChIKeyHYFKLXRWAOTCQV-AUUYWEPGSA-N
XLogP2.85
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione
CID 5303633
(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120767196
(2R,5S)-1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 23654829
2-(3,4-dimethoxyphenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 16830363
2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
CID 110327027
2-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
CID 110326908
3-methyl-2-phenyl-4-propylsulfonylmorpholine
CID 110728469
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
(4aS,8aS)-1-(3,4-dimethoxyphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926545
N-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 16825546
3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
CID 110740223
3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 30851072

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine?
The IUPAC name of (2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine (CID 7353221) is (2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine.
What is the SMILES notation for (2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine?
The canonical SMILES for (2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine is COc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)[C@H]2C)cc1OC.
What is the InChIKey of (2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine?
The InChIKey is HYFKLXRWAOTCQV-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-14-19(15-7-5-4-6-8-15)25-12-11-20(14)26(21,22)16-9-10-17(23-2)18(13-16)24-3/h4-10,13-14,19H,11-12H2,1-3H3/t14-,19-/m1/s1.
What are the key properties of (2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine?
(2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine has a molecular weight of 377.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine is sourced from PubChem (CID 7353221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).