(2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine

C13H18BrNO3S — CID 94200141

IUPAC(2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine
SMILESCS(=O)(=O)CCN1CCO[C@@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C13H18BrNO3S/c1-19(16,17)9-7-15-6-8-18-13(10-15)11-2-4-12(14)5-3-11/h2-5,13H,6-10H2,1H3/t13-/m1/s1
InChIKeyDAFCGHZZRFUVDQ-CYBMUJFWSA-N
MW348.26 g/mol
LogP1.87
Rot. Bonds4

About (2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine

(2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine (PubChem CID 94200141) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine
PubChem CID94200141
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name(2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine
SMILESCS(=O)(=O)CCN1CCO[C@@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C13H18BrNO3S/c1-19(16,17)9-7-15-6-8-18-13(10-15)11-2-4-12(14)5-3-11/h2-5,13H,6-10H2,1H3/t13-/m1/s1
InChIKeyDAFCGHZZRFUVDQ-CYBMUJFWSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-(Methylsulfonyl)phenyl)-4-propylmorpholine
CID 44443909
Morpholine, 2-(4-bromophenyl)-2,4-dimethyl-, hydrochloride
CID 3066062
2-(4-Bromophenyl)-4-methyl-2-propoxymorpholine--hydrogen chloride (1/1)
CID 3079166
(2S)-2-(4-bromophenyl)-4-methylmorpholine
CID 67354235
2-(4-Bromophenyl)-4-methylmorpholine
CID 12761207
(2R)-2-(4-bromophenyl)-4-methylmorpholine hydrochloride
CID 137964239
2-(2-Phenylmorpholin-4-yl)ethanesulfonamide
CID 53620460
3-[[2-(4-Bromophenyl)morpholin-4-yl]methyl]thiolane 1,1-dioxide
CID 119036727
(2R)-2-(4-Bromophenyl)-4-methylmorpholine
CID 67352697
2-(4-Bromo-3-fluorophenyl)-4-methylmorpholine
CID 117862338
2-(4-Bromo-2-fluorophenyl)-4-methylmorpholine
CID 126516194
(1R,2S)-1-(4-bromophenyl)-2-piperidin-1-ylsulfonylpropan-1-ol
CID 134969160

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine?
The IUPAC name of (2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine (CID 94200141) is (2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine?
The canonical SMILES for (2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine is CS(=O)(=O)CCN1CCO[C@@H](c2ccc(Br)cc2)C1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine?
The InChIKey is DAFCGHZZRFUVDQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-19(16,17)9-7-15-6-8-18-13(10-15)11-2-4-12(14)5-3-11/h2-5,13H,6-10H2,1H3/t13-/m1/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine?
(2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine has a molecular weight of 348.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine is sourced from PubChem (CID 94200141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).