4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine

C17H27NO3S — CID 110327467

IUPAC4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
SMILESCCCCS(=O)(=O)N1CC(c2ccc(C)cc2)OCC1(C)C
InChIInChI=1S/C17H27NO3S/c1-5-6-11-22(19,20)18-12-16(21-13-17(18,3)4)15-9-7-14(2)8-10-15/h7-10,16H,5-6,11-13H2,1-4H3
InChIKeyHRUWXDYCGNKCGX-UHFFFAOYSA-N
MW325.47 g/mol
LogP3.28
Rot. Bonds5

About 4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine

4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine (PubChem CID 110327467) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is 4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
PubChem CID110327467
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
SMILESCCCCS(=O)(=O)N1CC(c2ccc(C)cc2)OCC1(C)C
InChIInChI=1S/C17H27NO3S/c1-5-6-11-22(19,20)18-12-16(21-13-17(18,3)4)15-9-7-14(2)8-10-15/h7-10,16H,5-6,11-13H2,1-4H3
InChIKeyHRUWXDYCGNKCGX-UHFFFAOYSA-N
XLogP3.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine
CID 110327404
4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327496
4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369118
5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110327395
2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine
CID 110327583
4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
CID 110327570
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pentan-1-one
CID 110327503
N-cyclohexyl-5,5-dimethyl-2-(4-methylphenyl)morpholine-4-carboxamide
CID 110327448
2-benzyl-5,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine
CID 110643844
1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110327442
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine
CID 110327408
2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326607

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine?
The IUPAC name of 4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine (CID 110327467) is 4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine.
What is the SMILES notation for 4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine?
The canonical SMILES for 4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine is CCCCS(=O)(=O)N1CC(c2ccc(C)cc2)OCC1(C)C.
What is the InChIKey of 4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine?
The InChIKey is HRUWXDYCGNKCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-5-6-11-22(19,20)18-12-16(21-13-17(18,3)4)15-9-7-14(2)8-10-15/h7-10,16H,5-6,11-13H2,1-4H3.
What are the key properties of 4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine?
4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine has a molecular weight of 325.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine is sourced from PubChem (CID 110327467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).