2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine

C16H25NO3S — CID 17375832

IUPAC2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C16H25NO3S/c1-12(2)9-15-5-7-16(8-6-15)21(18,19)17-10-13(3)20-14(4)11-17/h5-8,12-14H,9-11H2,1-4H3
InChIKeyVOABLTSNEIHIHD-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.68
Rot. Bonds4

About 2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine

2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine (PubChem CID 17375832) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
PubChem CID17375832
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C16H25NO3S/c1-12(2)9-15-5-7-16(8-6-15)21(18,19)17-10-13(3)20-14(4)11-17/h5-8,12-14H,9-11H2,1-4H3
InChIKeyVOABLTSNEIHIHD-UHFFFAOYSA-N
XLogP2.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(bromomethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 65482577
(2R,6S)-2,6-dimethyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]sulfonylmorpholine
CID 161233704
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
(2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine
CID 26833180
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934850
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline
CID 110826197
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567
1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 19684674
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975031

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine?
The IUPAC name of 2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine (CID 17375832) is 2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine is CC(C)Cc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine?
The InChIKey is VOABLTSNEIHIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-12(2)9-15-5-7-16(8-6-15)21(18,19)17-10-13(3)20-14(4)11-17/h5-8,12-14H,9-11H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine?
2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine has a molecular weight of 311.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 17375832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).