4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine

C16H25NO3S — CID 110369118

IUPAC4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine
SMILESCCCCS(=O)(=O)N1CC(C)OC(c2ccc(C)cc2)C1
InChIInChI=1S/C16H25NO3S/c1-4-5-10-21(18,19)17-11-14(3)20-16(12-17)15-8-6-13(2)7-9-15/h6-9,14,16H,4-5,10-12H2,1-3H3
InChIKeyJFTQTCKSWJYREY-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.89
Rot. Bonds5

About 4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine

4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine (PubChem CID 110369118) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine
PubChem CID110369118
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine
SMILESCCCCS(=O)(=O)N1CC(C)OC(c2ccc(C)cc2)C1
InChIInChI=1S/C16H25NO3S/c1-4-5-10-21(18,19)17-11-14(3)20-16(12-17)15-8-6-13(2)7-9-15/h6-9,14,16H,4-5,10-12H2,1-3H3
InChIKeyJFTQTCKSWJYREY-UHFFFAOYSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine
CID 110369031
4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369136
2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine
CID 47958840
4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369122
4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369123
4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327467
4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369131
2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326607
(1R,5S)-3-butylsulfonyl-7-(3-methylphenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 91634111
3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one
CID 110369052
2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine
CID 51119420
4-(2,6-dimethylmorpholin-4-yl)sulfonylbutanoic acid
CID 43209518

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The IUPAC name of 4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine (CID 110369118) is 4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine.
What is the SMILES notation for 4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The canonical SMILES for 4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine is CCCCS(=O)(=O)N1CC(C)OC(c2ccc(C)cc2)C1.
What is the InChIKey of 4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
The InChIKey is JFTQTCKSWJYREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-4-5-10-21(18,19)17-11-14(3)20-16(12-17)15-8-6-13(2)7-9-15/h6-9,14,16H,4-5,10-12H2,1-3H3.
What are the key properties of 4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine?
4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine has a molecular weight of 311.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine is sourced from PubChem (CID 110369118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).