3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione

C17H22N2O6S — CID 121156844

IUPAC3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1
InChIInChI=1S/C17H22N2O6S/c1-12(2)25-14-3-5-15(6-4-14)26(22,23)18-9-7-13(8-10-18)19-16(20)11-24-17(19)21/h3-6,12-13H,7-11H2,1-2H3
InChIKeyNXUARSWUWNYABS-UHFFFAOYSA-N
MW382.44 g/mol
LogP1.61
Rot. Bonds5

About 3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione

3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 121156844) has the molecular formula C17H22N2O6S and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID121156844
Molecular FormulaC17H22N2O6S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC Name3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1
InChIInChI=1S/C17H22N2O6S/c1-12(2)25-14-3-5-15(6-4-14)26(22,23)18-9-7-13(8-10-18)19-16(20)11-24-17(19)21/h3-6,12-13H,7-11H2,1-2H3
InChIKeyNXUARSWUWNYABS-UHFFFAOYSA-N
XLogP1.61
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121156835
3-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156792
3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156763
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815062
3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156797
formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine
CID 171678492
3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815056
6-chloro-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 11270528
1-[1-[4-(4-iodophenoxy)phenyl]sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one
CID 142998583
7-phenyl-4-(4-propan-2-yloxyphenyl)sulfonyl-1,4-thiazepane 1,1-dioxide
CID 121192197
CID 89244969
CID 89244969
3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione
CID 121156762

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 121156844) is 3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione is CC(C)Oc1ccc(S(=O)(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1.
What is the InChIKey of 3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is NXUARSWUWNYABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S/c1-12(2)25-14-3-5-15(6-4-14)26(22,23)18-9-7-13(8-10-18)19-16(20)11-24-17(19)21/h3-6,12-13H,7-11H2,1-2H3.
What are the key properties of 3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 382.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121156844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).