1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one

C11H21N3O3S — CID 47372781

IUPAC1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one
SMILESCC(C)S(=O)(=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C11H21N3O3S/c1-9(2)18(16,17)13-6-3-10(4-7-13)14-8-5-12-11(14)15/h9-10H,3-8H2,1-2H3,(H,12,15)
InChIKeyGJDMEBUHGJIPJO-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.21
Rot. Bonds3

About 1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one

1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one (PubChem CID 47372781) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one
PubChem CID47372781
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one
SMILESCC(C)S(=O)(=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C11H21N3O3S/c1-9(2)18(16,17)13-6-3-10(4-7-13)14-8-5-12-11(14)15/h9-10H,3-8H2,1-2H3,(H,12,15)
InChIKeyGJDMEBUHGJIPJO-UHFFFAOYSA-N
XLogP0.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one?
The IUPAC name of 1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one (CID 47372781) is 1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one?
The canonical SMILES for 1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one is CC(C)S(=O)(=O)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one?
The InChIKey is GJDMEBUHGJIPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-9(2)18(16,17)13-6-3-10(4-7-13)14-8-5-12-11(14)15/h9-10H,3-8H2,1-2H3,(H,12,15).
What are the key properties of 1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one?
1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one has a molecular weight of 275.37 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylsulfonylpiperidin-4-yl)imidazolidin-2-one is sourced from PubChem (CID 47372781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).