1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one

C16H23NO4S — CID 136529774

IUPAC1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one
SMILESCC(=O)CC1COCCN1S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H23NO4S/c1-11-7-12(2)16(13(3)8-11)22(19,20)17-5-6-21-10-15(17)9-14(4)18/h7-8,15H,5-6,9-10H2,1-4H3
InChIKeyJUHSUQCSXRNUJG-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.98
Rot. Bonds4

About 1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one

1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one (PubChem CID 136529774) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one
PubChem CID136529774
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one
SMILESCC(=O)CC1COCCN1S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H23NO4S/c1-11-7-12(2)16(13(3)8-11)22(19,20)17-5-6-21-10-15(17)9-14(4)18/h7-8,15H,5-6,9-10H2,1-4H3
InChIKeyJUHSUQCSXRNUJG-UHFFFAOYSA-N
XLogP1.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-3-yl]methyl ethaneperoxoate
CID 87550329
3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid
CID 102749420
2-[4-(2,5-dimethylthiophen-3-yl)sulfonylmorpholin-3-yl]acetic acid
CID 56903162
4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine
CID 107326726
5-(3-ethylmorpholin-4-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
CID 43612947
1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546130
2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid
CID 56882504
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991169
5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline
CID 79961883
4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-isocyanatomorpholine
CID 107327705
1-[1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79539023
2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773727

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one?
The IUPAC name of 1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one (CID 136529774) is 1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one.
What is the SMILES notation for 1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one?
The canonical SMILES for 1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one is CC(=O)CC1COCCN1S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one?
The InChIKey is JUHSUQCSXRNUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-11-7-12(2)16(13(3)8-11)22(19,20)17-5-6-21-10-15(17)9-14(4)18/h7-8,15H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one?
1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one has a molecular weight of 325.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one is sourced from PubChem (CID 136529774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).