1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone

C15H22N2O3S — CID 651253

IUPAC1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C(C)C
InChIInChI=1S/C15H22N2O3S/c1-11(2)15-16(13(4)18)9-10-17(15)21(19,20)14-7-5-12(3)6-8-14/h5-8,11,15H,9-10H2,1-4H3
InChIKeyDOJFQSXZVDIZAI-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.83
Rot. Bonds3

About 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone

1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone (PubChem CID 651253) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone
PubChem CID651253
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C(C)C
InChIInChI=1S/C15H22N2O3S/c1-11(2)15-16(13(4)18)9-10-17(15)21(19,20)14-7-5-12(3)6-8-14/h5-8,11,15H,9-10H2,1-4H3
InChIKeyDOJFQSXZVDIZAI-UHFFFAOYSA-N
XLogP1.83
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone (CID 651253) is 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C(C)C.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone?
The InChIKey is DOJFQSXZVDIZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(2)15-16(13(4)18)9-10-17(15)21(19,20)14-7-5-12(3)6-8-14/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone?
1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone has a molecular weight of 310.42 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethanone is sourced from PubChem (CID 651253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).