2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine

C17H27NO3S — CID 71977182

IUPAC2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine
SMILESCc1ccc(C2CN(CCS(=O)(=O)C(C)C)CCO2)c(C)c1
InChIInChI=1S/C17H27NO3S/c1-13(2)22(19,20)10-8-18-7-9-21-17(12-18)16-6-5-14(3)11-15(16)4/h5-6,11,13,17H,7-10,12H2,1-4H3
InChIKeyPBHUUIFALXQTMS-UHFFFAOYSA-N
MW325.47 g/mol
LogP2.50
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine

2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine (PubChem CID 71977182) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine
PubChem CID71977182
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine
SMILESCc1ccc(C2CN(CCS(=O)(=O)C(C)C)CCO2)c(C)c1
InChIInChI=1S/C17H27NO3S/c1-13(2)22(19,20)10-8-18-7-9-21-17(12-18)16-6-5-14(3)11-15(16)4/h5-6,11,13,17H,7-10,12H2,1-4H3
InChIKeyPBHUUIFALXQTMS-UHFFFAOYSA-N
XLogP2.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine
CID 100629903
1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol
CID 71869593
[4-(2-propan-2-ylsulfonylethyl)morpholin-2-yl]methanamine
CID 104920922
(2S)-2-amino-1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 75429794
(2R)-2-(2-chloro-4-fluorophenyl)-4-(2-ethylsulfonylethyl)morpholine
CID 124619802
(2S)-2-amino-1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 75429793
3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032919
N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide
CID 106725380
3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid
CID 67033093
(2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine
CID 97069785
3-[2-(2-methylphenyl)morpholin-4-yl]propan-1-ol
CID 111462348
(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol
CID 103738839

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine?
The IUPAC name of 2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine (CID 71977182) is 2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine is Cc1ccc(C2CN(CCS(=O)(=O)C(C)C)CCO2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine?
The InChIKey is PBHUUIFALXQTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-13(2)22(19,20)10-8-18-7-9-21-17(12-18)16-6-5-14(3)11-15(16)4/h5-6,11,13,17H,7-10,12H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine?
2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine has a molecular weight of 325.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-4-(2-propan-2-ylsulfonylethyl)morpholine is sourced from PubChem (CID 71977182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).