3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione

C18H22N2O5S — CID 121156797

IUPAC3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C18H22N2O5S/c21-17-12-25-18(22)20(17)15-7-9-19(10-8-15)26(23,24)16-6-5-13-3-1-2-4-14(13)11-16/h5-6,11,15H,1-4,7-10,12H2
InChIKeyLFIIBOXKHYHJOS-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.70
Rot. Bonds3

About 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione

3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 121156797) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID121156797
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C18H22N2O5S/c21-17-12-25-18(22)20(17)15-7-9-19(10-8-15)26(23,24)16-6-5-13-3-1-2-4-14(13)11-16/h5-6,11,15H,1-4,7-10,12H2
InChIKeyLFIIBOXKHYHJOS-UHFFFAOYSA-N
XLogP1.70
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815062
3-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156792
4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121156835
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
CID 71890474
3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156844
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815056
N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide
CID 48737336
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 121156797) is 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is LFIIBOXKHYHJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c21-17-12-25-18(22)20(17)15-7-9-19(10-8-15)26(23,24)16-6-5-13-3-1-2-4-14(13)11-16/h5-6,11,15H,1-4,7-10,12H2.
What are the key properties of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 378.45 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121156797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).