1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one

C14H19NO4S — CID 101224914

IUPAC1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one
SMILESCC(=O)CC1CN(S(=O)(=O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C14H19NO4S/c1-11-3-5-14(6-4-11)20(17,18)15-7-8-19-13(10-15)9-12(2)16/h3-6,13H,7-10H2,1-2H3
InChIKeyKPBWDWWWYLWNJY-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.36
Rot. Bonds4

About 1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one

1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one (PubChem CID 101224914) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one
PubChem CID101224914
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one
SMILESCC(=O)CC1CN(S(=O)(=O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C14H19NO4S/c1-11-3-5-14(6-4-11)20(17,18)15-7-8-19-13(10-15)9-12(2)16/h3-6,13H,7-10H2,1-2H3
InChIKeyKPBWDWWWYLWNJY-UHFFFAOYSA-N
XLogP1.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Tosylpiperidin-4-one
CID 560957
Ethyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate
CID 818681
Ethyl 1-[(4-ethylphenyl)sulfonyl]-4-piperidinecarboxylate
CID 593546
(2,6-Dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 6458429
2,6-Dimethyl-4-[(4-methylphenyl)sulfonyl]morpholine
CID 2832225
{1-[(4-Methylphenyl)sulfonyl]-4-piperidinyl}(morpholino)methanone
CID 1326006
N,4-dimethyl-N-(4-morpholino-4-oxobutyl)benzenesulfonamide
CID 1953555
Ethyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 3861154
1-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]propan-2-one
CID 53384064
1-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]propan-2-one
CID 53382885
Methyl 1-[(4-methylphenyl)sulfonyl]-4-piperidinecarboxylate
CID 683287
1-(4-Methylbenzenesulfonyl)piperidin-3-one
CID 11010489

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one?
The IUPAC name of 1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one (CID 101224914) is 1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one.
What is the SMILES notation for 1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one?
The canonical SMILES for 1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one is CC(=O)CC1CN(S(=O)(=O)c2ccc(C)cc2)CCO1.
What is the InChIKey of 1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one?
The InChIKey is KPBWDWWWYLWNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-11-3-5-14(6-4-11)20(17,18)15-7-8-19-13(10-15)9-12(2)16/h3-6,13H,7-10H2,1-2H3.
What are the key properties of 1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one?
1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one has a molecular weight of 297.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one is sourced from PubChem (CID 101224914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).