1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone

C13H18N2O3S — CID 3157921

IUPAC1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
SMILESCC(=O)N1CN(S(=O)(=O)c2ccc(C)cc2)CC1C
InChIInChI=1S/C13H18N2O3S/c1-10-4-6-13(7-5-10)19(17,18)14-8-11(2)15(9-14)12(3)16/h4-7,11H,8-9H2,1-3H3
InChIKeyPZYMJGMCUSTKRQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.19
Rot. Bonds2

About 1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone

1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone (PubChem CID 3157921) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
PubChem CID3157921
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
SMILESCC(=O)N1CN(S(=O)(=O)c2ccc(C)cc2)CC1C
InChIInChI=1S/C13H18N2O3S/c1-10-4-6-13(7-5-10)19(17,18)14-8-11(2)15(9-14)12(3)16/h4-7,11H,8-9H2,1-3H3
InChIKeyPZYMJGMCUSTKRQ-UHFFFAOYSA-N
XLogP1.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone?
The IUPAC name of 1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone (CID 3157921) is 1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone.
What is the SMILES notation for 1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone?
The canonical SMILES for 1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone is CC(=O)N1CN(S(=O)(=O)c2ccc(C)cc2)CC1C.
What is the InChIKey of 1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone?
The InChIKey is PZYMJGMCUSTKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10-4-6-13(7-5-10)19(17,18)14-8-11(2)15(9-14)12(3)16/h4-7,11H,8-9H2,1-3H3.
What are the key properties of 1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone?
1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone has a molecular weight of 282.37 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone is sourced from PubChem (CID 3157921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).