(2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine

C16H24BrNO5S — CID 16757131

IUPAC(2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine
SMILESCCOC[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@](C)(OCC)O1
InChIInChI=1S/C16H24BrNO5S/c1-4-21-11-14-10-18(12-16(3,23-14)22-5-2)24(19,20)15-8-6-13(17)7-9-15/h6-9,14H,4-5,10-12H2,1-3H3/t14-,16-/m1/s1
InChIKeyDGOUVHRWDSHGJZ-GDBMZVCRSA-N
MW422.34 g/mol
LogP2.63
Rot. Bonds7

About (2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine

(2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine (PubChem CID 16757131) has the molecular formula C16H24BrNO5S and a molecular weight of 422.34 g/mol. Its IUPAC name is (2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine
PubChem CID16757131
Molecular FormulaC16H24BrNO5S
Molecular Weight422.34 g/mol
Exact Mass421.06
IUPAC Name(2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine
SMILESCCOC[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@](C)(OCC)O1
InChIInChI=1S/C16H24BrNO5S/c1-4-21-11-14-10-18(12-16(3,23-14)22-5-2)24(19,20)15-8-6-13(17)7-9-15/h6-9,14H,4-5,10-12H2,1-3H3/t14-,16-/m1/s1
InChIKeyDGOUVHRWDSHGJZ-GDBMZVCRSA-N
XLogP2.63
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-Bromobenzene)sulfonyl]morpholine
CID 253128
8-((4-Bromophenyl)sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2242104
4-bromo-N-(2,2-dimethoxyethyl)-N-methylbenzenesulfonamide
CID 789098
8-((4-Bromo-2-fluorophenyl)sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 91800381
[4-(4-Bromo-2-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934974
4-(4-Bromo-2-fluorophenyl)sulfonyl-2-(bromomethyl)-6-methylmorpholine
CID 102938147
[4-(4-Bromo-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102976087
4-(4-Bromo-3-fluorophenyl)sulfonyl-2-methylmorpholine
CID 103697268
4-(4-Bromo-3-fluorophenyl)sulfonyl-5-ethyl-2-methylmorpholine
CID 103697333
4-(4-Bromo-3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 103697342
4-bromo-3-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 103697436
1-(4-Bromo-3-fluorophenyl)sulfonyl-4-ethoxypiperidine
CID 103697450

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine?
The IUPAC name of (2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine (CID 16757131) is (2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine.
What is the SMILES notation for (2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine?
The canonical SMILES for (2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine is CCOC[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@](C)(OCC)O1.
What is the InChIKey of (2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine?
The InChIKey is DGOUVHRWDSHGJZ-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H24BrNO5S/c1-4-21-11-14-10-18(12-16(3,23-14)22-5-2)24(19,20)15-8-6-13(17)7-9-15/h6-9,14H,4-5,10-12H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of (2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine?
(2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine has a molecular weight of 422.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine is sourced from PubChem (CID 16757131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).