1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one

C13H18N2O3S — CID 59279112

IUPAC1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H18N2O3S/c1-11(2)13(16)14-8-9-15(10-14)19(17,18)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyPGDZBKOSBQANQK-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.13
Rot. Bonds3

About 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one

1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one (PubChem CID 59279112) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one
PubChem CID59279112
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H18N2O3S/c1-11(2)13(16)14-8-9-15(10-14)19(17,18)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyPGDZBKOSBQANQK-UHFFFAOYSA-N
XLogP1.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-bromopropan-1-one
CID 107903486
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 26202318
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 17191200
(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-piperidin-1-ium-1-ylpropan-1-one
CID 9249678
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
4-(benzenesulfonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811945
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 26865936
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[benzyl(methyl)amino]propan-1-one
CID 9274787
1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797383
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 43875713
(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 9249167

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one (CID 59279112) is 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is PGDZBKOSBQANQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-11(2)13(16)14-8-9-15(10-14)19(17,18)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3.
What are the key properties of 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one?
1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 282.37 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 59279112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).