1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one

C15H21NO3S — CID 79546130

IUPAC1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H21NO3S/c1-11-6-7-15(12(2)9-11)20(18,19)16-8-4-5-14(16)10-13(3)17/h6-7,9,14H,4-5,8,10H2,1-3H3
InChIKeyLVFYNQPOEPHBDE-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.44
Rot. Bonds4

About 1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one

1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one (PubChem CID 79546130) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
PubChem CID79546130
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H21NO3S/c1-11-6-7-15(12(2)9-11)20(18,19)16-8-4-5-14(16)10-13(3)17/h6-7,9,14H,4-5,8,10H2,1-3H3
InChIKeyLVFYNQPOEPHBDE-UHFFFAOYSA-N
XLogP2.44
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546629
2-(chloromethyl)-1-(2,4-dimethylphenyl)sulfonylazepane
CID 116639743
2-(2-chloroethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine
CID 63397490
1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63250454
1-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79545883
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 105400230
1-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546215
1-[1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79539023
1-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546295
3-[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62467903
[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688201
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-one
CID 79553067

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one (CID 79546130) is 1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1S(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one?
The InChIKey is LVFYNQPOEPHBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11-6-7-15(12(2)9-11)20(18,19)16-8-4-5-14(16)10-13(3)17/h6-7,9,14H,4-5,8,10H2,1-3H3.
What are the key properties of 1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one?
1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one has a molecular weight of 295.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79546130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).