3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione

C14H22N2O5S — CID 121156762

IUPAC3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1C1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H22N2O5S/c17-13-10-21-14(18)16(13)11-6-8-15(9-7-11)22(19,20)12-4-2-1-3-5-12/h11-12H,1-10H2
InChIKeyKTAAJFMHVMFLIB-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.09
Rot. Bonds3

About 3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione

3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 121156762) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione
PubChem CID121156762
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1C1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H22N2O5S/c17-13-10-21-14(18)16(13)11-6-8-15(9-7-11)22(19,20)12-4-2-1-3-5-12/h11-12H,1-10H2
InChIKeyKTAAJFMHVMFLIB-UHFFFAOYSA-N
XLogP1.09
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121156835
3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815056
3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156797
3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156763
3-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156792
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815062
3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156844
3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156772
3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100728515
3-[(3S)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100728730
3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156485
3-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726702

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione (CID 121156762) is 3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1C1CCN(S(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of 3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione?
The InChIKey is KTAAJFMHVMFLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c17-13-10-21-14(18)16(13)11-6-8-15(9-7-11)22(19,20)12-4-2-1-3-5-12/h11-12H,1-10H2.
What are the key properties of 3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione?
3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 330.41 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylsulfonylpiperidin-4-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121156762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).