(2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine

C14H20BrNO5S — CID 9185861

IUPAC(2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC
InChIInChI=1S/C14H20BrNO5S/c1-9-7-16(8-10(2)21-9)22(17,18)14-6-13(20-4)12(19-3)5-11(14)15/h5-6,9-10H,7-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyHXKBGEJYMWRGKQ-NXEZZACHSA-N
MW394.29 g/mol
LogP2.26
Rot. Bonds4

About (2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine

(2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 9185861) has the molecular formula C14H20BrNO5S and a molecular weight of 394.29 g/mol. Its IUPAC name is (2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID9185861
Molecular FormulaC14H20BrNO5S
Molecular Weight394.29 g/mol
Exact Mass393.02
IUPAC Name(2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC
InChIInChI=1S/C14H20BrNO5S/c1-9-7-16(8-10(2)21-9)22(17,18)14-6-13(20-4)12(19-3)5-11(14)15/h5-6,9-10H,7-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyHXKBGEJYMWRGKQ-NXEZZACHSA-N
XLogP2.26
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,6S)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185850
(2R,6S)-4-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7314575
(2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 103931355
(2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7366801
4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 55627528
4-(2,5-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45153824
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 47257434
4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 3154510
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 6460147

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine (CID 9185861) is (2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine is COc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC.
What is the InChIKey of (2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is HXKBGEJYMWRGKQ-NXEZZACHSA-N. The full InChI is InChI=1S/C14H20BrNO5S/c1-9-7-16(8-10(2)21-9)22(17,18)14-6-13(20-4)12(19-3)5-11(14)15/h5-6,9-10H,7-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of (2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
(2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 394.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 9185861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).