1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one

C14H20N2O3S — CID 4125550

IUPAC1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C
InChIInChI=1S/C14H20N2O3S/c1-4-14(17)15-9-10-16(12(15)3)20(18,19)13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3
InChIKeyMMGWOCYCGXBFPU-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.58
Rot. Bonds3

About 1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one

1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one (PubChem CID 4125550) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one
PubChem CID4125550
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C
InChIInChI=1S/C14H20N2O3S/c1-4-14(17)15-9-10-16(12(15)3)20(18,19)13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3
InChIKeyMMGWOCYCGXBFPU-UHFFFAOYSA-N
XLogP1.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one (CID 4125550) is 1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one is CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C.
What is the InChIKey of 1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one?
The InChIKey is MMGWOCYCGXBFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-14(17)15-9-10-16(12(15)3)20(18,19)13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3.
What are the key properties of 1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one?
1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one has a molecular weight of 296.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one is sourced from PubChem (CID 4125550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).