(2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine

C13H18BrNO4S — CID 7366801

IUPAC(2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Br
InChIInChI=1S/C13H18BrNO4S/c1-9-7-15(8-10(2)19-9)20(16,17)11-4-5-12(14)13(6-11)18-3/h4-6,9-10H,7-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyYZYPTUDBJTUPRY-UWVGGRQHSA-N
MW364.26 g/mol
LogP2.26
Rot. Bonds3

About (2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine

(2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 7366801) has the molecular formula C13H18BrNO4S and a molecular weight of 364.26 g/mol. Its IUPAC name is (2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID7366801
Molecular FormulaC13H18BrNO4S
Molecular Weight364.26 g/mol
Exact Mass363.01
IUPAC Name(2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Br
InChIInChI=1S/C13H18BrNO4S/c1-9-7-15(8-10(2)19-9)20(16,17)11-4-5-12(14)13(6-11)18-3/h4-6,9-10H,7-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyYZYPTUDBJTUPRY-UWVGGRQHSA-N
XLogP2.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 1243645
1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine
CID 7574290
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate
CID 2361227
(2R,6S)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185850
(2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185861
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
(2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185875
7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
CID 92853527
5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide
CID 6471850
(2R,6S)-4-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7314575
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine (CID 7366801) is (2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine is COc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Br.
What is the InChIKey of (2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is YZYPTUDBJTUPRY-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H18BrNO4S/c1-9-7-15(8-10(2)19-9)20(16,17)11-4-5-12(14)13(6-11)18-3/h4-6,9-10H,7-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
(2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 364.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 7366801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).