(2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine

C16H25NO5S — CID 9185875

IUPAC(2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OCC
InChIInChI=1S/C16H25NO5S/c1-5-20-15-8-7-14(9-16(15)21-6-2)23(18,19)17-10-12(3)22-13(4)11-17/h7-9,12-13H,5-6,10-11H2,1-4H3/t12-,13-/m1/s1
InChIKeyYRKBXEOBUOKMCD-CHWSQXEVSA-N
MW343.45 g/mol
LogP2.28
Rot. Bonds6

About (2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine

(2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 9185875) has the molecular formula C16H25NO5S and a molecular weight of 343.45 g/mol. Its IUPAC name is (2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID9185875
Molecular FormulaC16H25NO5S
Molecular Weight343.45 g/mol
Exact Mass343.15
IUPAC Name(2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OCC
InChIInChI=1S/C16H25NO5S/c1-5-20-15-8-7-14(9-16(15)21-6-2)23(18,19)17-10-12(3)22-13(4)11-17/h7-9,12-13H,5-6,10-11H2,1-4H3/t12-,13-/m1/s1
InChIKeyYRKBXEOBUOKMCD-CHWSQXEVSA-N
XLogP2.28
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 1243645
(2R,6R)-4-(3-butoxy-4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 35202783
4-(3-butoxy-4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45146123
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide
CID 55521871
2-(3,4-diethoxyphenyl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 120583940
(2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7366801
[(3S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 125118085
(3S,5S)-1-(3,4-dipropoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 95864977
1-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepane
CID 119963333
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate
CID 2361227
4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 6460147
1-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963332

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine (CID 9185875) is (2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine is CCOc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OCC.
What is the InChIKey of (2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is YRKBXEOBUOKMCD-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H25NO5S/c1-5-20-15-8-7-14(9-16(15)21-6-2)23(18,19)17-10-12(3)22-13(4)11-17/h7-9,12-13H,5-6,10-11H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of (2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
(2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 343.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 9185875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).