1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one

C11H21N3O3S — CID 47387437

IUPAC1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one
SMILESCCCS(=O)(=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C11H21N3O3S/c1-2-9-18(16,17)13-6-3-10(4-7-13)14-8-5-12-11(14)15/h10H,2-9H2,1H3,(H,12,15)
InChIKeyMGOHJCIQAURKNU-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.22
Rot. Bonds4

About 1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one

1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one (PubChem CID 47387437) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one
PubChem CID47387437
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one
SMILESCCCS(=O)(=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C11H21N3O3S/c1-2-9-18(16,17)13-6-3-10(4-7-13)14-8-5-12-11(14)15/h10H,2-9H2,1H3,(H,12,15)
InChIKeyMGOHJCIQAURKNU-UHFFFAOYSA-N
XLogP0.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxidotetrahydrothiophen-3-yl)piperidine-1-carboxamide
CID 661573
N-cyclobutyl-3-sulfamoylpiperidine-1-carboxamide
CID 116658849
N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
CID 7190340
1-(1,1-Dioxothiolan-3-yl)-3-(2-piperidin-1-ylethyl)urea
CID 47237226
(2R)-N-butyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97308164
N-cyclobutyl-4-(methylsulfamoyl)piperidine-1-carboxamide
CID 127307374
3-(ethylsulfonylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide
CID 177751498
N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylpiperidine-1-carboxamide
CID 128782279
N-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylpiperidine-1-carboxamide
CID 129347954
N-[(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylpiperidine-1-carboxamide
CID 129347955
4-(2,2-difluoroethyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]piperazine-1-carboxamide
CID 132354680
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,4,4-trifluorobutyl)piperidine-1-carboxamide
CID 137865424

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one?
The IUPAC name of 1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one (CID 47387437) is 1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one?
The canonical SMILES for 1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one is CCCS(=O)(=O)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one?
The InChIKey is MGOHJCIQAURKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-2-9-18(16,17)13-6-3-10(4-7-13)14-8-5-12-11(14)15/h10H,2-9H2,1H3,(H,12,15).
What are the key properties of 1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one?
1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one has a molecular weight of 275.37 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylsulfonylpiperidin-4-yl)imidazolidin-2-one is sourced from PubChem (CID 47387437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).