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

C14H20BrNO4S — CID 1243645

IUPAC(2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Br
InChIInChI=1S/C14H20BrNO4S/c1-4-19-14-7-12(5-6-13(14)15)21(17,18)16-8-10(2)20-11(3)9-16/h5-7,10-11H,4,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyPOMZXPCROGGSES-QWRGUYRKSA-N
MW378.29 g/mol
LogP2.65
Rot. Bonds4

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

(2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 1243645) has the molecular formula C14H20BrNO4S and a molecular weight of 378.29 g/mol. Its IUPAC name is (2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID1243645
Molecular FormulaC14H20BrNO4S
Molecular Weight378.29 g/mol
Exact Mass377.03
IUPAC Name(2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Br
InChIInChI=1S/C14H20BrNO4S/c1-4-19-14-7-12(5-6-13(14)15)21(17,18)16-8-10(2)20-11(3)9-16/h5-7,10-11H,4,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyPOMZXPCROGGSES-QWRGUYRKSA-N
XLogP2.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185875
(2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7366801
(2R,6R)-4-(3-butoxy-4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 35202783
4-(3-butoxy-4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45146123
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 6460147
7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
CID 92853527
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
4-[4-(bromomethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 65482577
(2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine
CID 26833180
4-(2,5-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45153824

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine (CID 1243645) is (2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine is CCOc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Br.
What is the InChIKey of (2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is POMZXPCROGGSES-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H20BrNO4S/c1-4-19-14-7-12(5-6-13(14)15)21(17,18)16-8-10(2)20-11(3)9-16/h5-7,10-11H,4,8-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
(2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 378.29 g/mol, XLogP of 2.65, 4 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-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 1243645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).