1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one

C13H17NO3S — CID 82134022

IUPAC1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(=O)C2)c(C)c1
InChIInChI=1S/C13H17NO3S/c1-9-6-10(2)13(11(3)7-9)18(16,17)14-5-4-12(15)8-14/h6-7H,4-5,8H2,1-3H3
InChIKeyUIUPIEUHNYDOON-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.58
Rot. Bonds2

About 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one

1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one (PubChem CID 82134022) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one
PubChem CID82134022
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(=O)C2)c(C)c1
InChIInChI=1S/C13H17NO3S/c1-9-6-10(2)13(11(3)7-9)18(16,17)14-5-4-12(15)8-14/h6-7H,4-5,8H2,1-3H3
InChIKeyUIUPIEUHNYDOON-UHFFFAOYSA-N
XLogP1.58
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one
CID 110708137
4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-2-one
CID 62896505
3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872686
6-thiophen-3-yl-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 134414598
1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 26945213
6-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 134414747
6-thiophen-2-yl-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 134414607
2-(4-methoxyphenyl)-6-(2,4,6-trimethylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135464032
6-(3-methylsulfinylphenyl)-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 134414725
N,N-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 971390
4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 146627881
4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol
CID 103896846

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one?
The IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one (CID 82134022) is 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one is Cc1cc(C)c(S(=O)(=O)N2CCC(=O)C2)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one?
The InChIKey is UIUPIEUHNYDOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9-6-10(2)13(11(3)7-9)18(16,17)14-5-4-12(15)8-14/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one?
1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one has a molecular weight of 267.35 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one is sourced from PubChem (CID 82134022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).