methyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

C16H18N4O6S2 — CID 4990985

IUPACmethyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(=O)N1C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C16H18N4O6S2/c1-25-15(21)12-9-26-16(22)20(12)10-5-7-19(8-6-10)28(23,24)13-4-2-3-11-14(13)18-27-17-11/h2-4,10,12H,5-9H2,1H3
InChIKeyJSYZVHBTDJQJPV-UHFFFAOYSA-N
MW426.48 g/mol
LogP0.84
Rot. Bonds4

About methyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

methyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 4990985) has the molecular formula C16H18N4O6S2 and a molecular weight of 426.48 g/mol. Its IUPAC name is methyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID4990985
Molecular FormulaC16H18N4O6S2
Molecular Weight426.48 g/mol
Exact Mass426.07
IUPAC Namemethyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(=O)N1C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C16H18N4O6S2/c1-25-15(21)12-9-26-16(22)20(12)10-5-7-19(8-6-10)28(23,24)13-4-2-3-11-14(13)18-27-17-11/h2-4,10,12H,5-9H2,1H3
InChIKeyJSYZVHBTDJQJPV-UHFFFAOYSA-N
XLogP0.84
TPSA119.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate with MolForge

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Related Compounds

methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3518759
4-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 167882512
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300390
N-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48737430
(3S,4S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3,4-diol
CID 56898413
azepan-1-yl-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]methanone
CID 20853463
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-phenylmethanone
CID 55488622
4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole
CID 22585591
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-4-carboxamide
CID 15994367
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 15990871
1-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63263791
2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (CID 4990985) is methyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)C1COC(=O)N1C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1.
What is the InChIKey of methyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is JSYZVHBTDJQJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O6S2/c1-25-15(21)12-9-26-16(22)20(12)10-5-7-19(8-6-10)28(23,24)13-4-2-3-11-14(13)18-27-17-11/h2-4,10,12H,5-9H2,1H3.
What are the key properties of methyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 426.48 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 4990985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).