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

C10H19N3O3S — CID 47372782

IUPAC1-(1-ethylsulfonylpiperidin-4-yl)imidazolidin-2-one
SMILESCCS(=O)(=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C10H19N3O3S/c1-2-17(15,16)12-6-3-9(4-7-12)13-8-5-11-10(13)14/h9H,2-8H2,1H3,(H,11,14)
InChIKeyVTRQEHRUSPJKOZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.17
Rot. Bonds3

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

1-(1-ethylsulfonylpiperidin-4-yl)imidazolidin-2-one (PubChem CID 47372782) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(1-ethylsulfonylpiperidin-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-ethylsulfonylpiperidin-4-yl)imidazolidin-2-one
PubChem CID47372782
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name1-(1-ethylsulfonylpiperidin-4-yl)imidazolidin-2-one
SMILESCCS(=O)(=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C10H19N3O3S/c1-2-17(15,16)12-6-3-9(4-7-12)13-8-5-11-10(13)14/h9H,2-8H2,1H3,(H,11,14)
InChIKeyVTRQEHRUSPJKOZ-UHFFFAOYSA-N
XLogP-0.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonylpiperidin-4-yl)imidazolidin-2-one?
The IUPAC name of 1-(1-ethylsulfonylpiperidin-4-yl)imidazolidin-2-one (CID 47372782) is 1-(1-ethylsulfonylpiperidin-4-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-ethylsulfonylpiperidin-4-yl)imidazolidin-2-one?
The canonical SMILES for 1-(1-ethylsulfonylpiperidin-4-yl)imidazolidin-2-one is CCS(=O)(=O)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-(1-ethylsulfonylpiperidin-4-yl)imidazolidin-2-one?
The InChIKey is VTRQEHRUSPJKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-2-17(15,16)12-6-3-9(4-7-12)13-8-5-11-10(13)14/h9H,2-8H2,1H3,(H,11,14).
What are the key properties of 1-(1-ethylsulfonylpiperidin-4-yl)imidazolidin-2-one?
1-(1-ethylsulfonylpiperidin-4-yl)imidazolidin-2-one has a molecular weight of 261.35 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonylpiperidin-4-yl)imidazolidin-2-one is sourced from PubChem (CID 47372782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).