5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine

C21H27NO3S — CID 110327404

IUPAC5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine
SMILESCC1(C)COC(c2ccccc2)CN1S(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C21H27NO3S/c1-21(2)17-25-20(19-13-7-4-8-14-19)16-22(21)26(23,24)15-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14,20H,9,12,15-17H2,1-2H3
InChIKeyGTMNIFRWTOQHCW-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.80
Rot. Bonds6

About 5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine

5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine (PubChem CID 110327404) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine.

Molecular Properties

Compound Name5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine
PubChem CID110327404
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine
SMILESCC1(C)COC(c2ccccc2)CN1S(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C21H27NO3S/c1-21(2)17-25-20(19-13-7-4-8-14-19)16-22(21)26(23,24)15-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14,20H,9,12,15-17H2,1-2H3
InChIKeyGTMNIFRWTOQHCW-UHFFFAOYSA-N
XLogP3.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327467
5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110327395
2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine
CID 110740910
2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326607
2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110364078
2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine
CID 110327583
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine
CID 110327408
2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326810
4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine
CID 110327378
2-benzyl-5,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine
CID 110643844
4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327496
1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine?
The IUPAC name of 5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine (CID 110327404) is 5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine.
What is the SMILES notation for 5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine?
The canonical SMILES for 5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine is CC1(C)COC(c2ccccc2)CN1S(=O)(=O)CCCc1ccccc1.
What is the InChIKey of 5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine?
The InChIKey is GTMNIFRWTOQHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-21(2)17-25-20(19-13-7-4-8-14-19)16-22(21)26(23,24)15-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14,20H,9,12,15-17H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine?
5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine has a molecular weight of 373.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine is sourced from PubChem (CID 110327404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).