3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione

C16H18N2O7S — CID 91815062

IUPAC3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C16H18N2O7S/c19-15-10-25-16(20)18(15)11-3-5-17(6-4-11)26(21,22)12-1-2-13-14(9-12)24-8-7-23-13/h1-2,9,11H,3-8,10H2
InChIKeySZEXWGUSFZKEFE-UHFFFAOYSA-N
MW382.39 g/mol
LogP0.59
Rot. Bonds3

About 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione

3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 91815062) has the molecular formula C16H18N2O7S and a molecular weight of 382.39 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID91815062
Molecular FormulaC16H18N2O7S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC Name3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C16H18N2O7S/c19-15-10-25-16(20)18(15)11-3-5-17(6-4-11)26(21,22)12-1-2-13-14(9-12)24-8-7-23-13/h1-2,9,11H,3-8,10H2
InChIKeySZEXWGUSFZKEFE-UHFFFAOYSA-N
XLogP0.59
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

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
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
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylpiperidine
CID 3154533
3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156844
(3S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-3-methylpiperidine
CID 51686318
1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 43816542
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-thiazinane 1-oxide
CID 110721601
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-4-ethylpiperazine;hydrochloride
CID 175654577
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978298
3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815056

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 91815062) is 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is SZEXWGUSFZKEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O7S/c19-15-10-25-16(20)18(15)11-3-5-17(6-4-11)26(21,22)12-1-2-13-14(9-12)24-8-7-23-13/h1-2,9,11H,3-8,10H2.
What are the key properties of 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 382.39 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 91815062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).