3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one

C10H18N2O4S — CID 110710722

IUPAC3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESCCS(=O)(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C10H18N2O4S/c1-2-17(14,15)11-5-3-9(4-6-11)12-7-8-16-10(12)13/h9H,2-8H2,1H3
InChIKeyASVYHHKIJCPWFI-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.25
Rot. Bonds3

About 3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one

3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one (PubChem CID 110710722) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
PubChem CID110710722
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESCCS(=O)(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C10H18N2O4S/c1-2-17(14,15)11-5-3-9(4-6-11)12-7-8-16-10(12)13/h9H,2-8H2,1H3
InChIKeyASVYHHKIJCPWFI-UHFFFAOYSA-N
XLogP0.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one (CID 110710722) is 3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one is CCS(=O)(=O)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is ASVYHHKIJCPWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-2-17(14,15)11-5-3-9(4-6-11)12-7-8-16-10(12)13/h9H,2-8H2,1H3.
What are the key properties of 3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one?
3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 262.33 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 110710722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).