methyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate

C12H16N2O6S — CID 51091345

IUPACmethyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NC(=O)c2ccoc2)CC1
InChIInChI=1S/C12H16N2O6S/c1-19-12(16)9-2-5-14(6-3-9)21(17,18)13-11(15)10-4-7-20-8-10/h4,7-9H,2-3,5-6H2,1H3,(H,13,15)
InChIKeyQDPMLPBBALIFNM-UHFFFAOYSA-N
MW316.33 g/mol
LogP0.14
Rot. Bonds4

About methyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate

methyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate (PubChem CID 51091345) has the molecular formula C12H16N2O6S and a molecular weight of 316.33 g/mol. Its IUPAC name is methyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate
PubChem CID51091345
Molecular FormulaC12H16N2O6S
Molecular Weight316.33 g/mol
Exact Mass316.07
IUPAC Namemethyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NC(=O)c2ccoc2)CC1
InChIInChI=1S/C12H16N2O6S/c1-19-12(16)9-2-5-14(6-3-9)21(17,18)13-11(15)10-4-7-20-8-10/h4,7-9H,2-3,5-6H2,1H3,(H,13,15)
InChIKeyQDPMLPBBALIFNM-UHFFFAOYSA-N
XLogP0.14
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate
CID 47362555
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate
CID 43605594
[(1R,3R)-3-methoxycarbonylcyclohexyl] furan-3-carboxylate
CID 99790023
ethyl 1-[2-(furan-3-carbonylamino)acetyl]piperidine-4-carboxylate
CID 46430018
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate
CID 113444014
N-methoxyfuran-3-carboxamide
CID 60701103
methyl (3R,4S)-1-(furan-3-carbonyl)-3-methylpiperidine-4-carboxylate
CID 99794318
methyl 1-tert-butylsulfonylpiperidine-4-carboxylate
CID 62492505
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
N-cyclopropylfuran-3-carboxamide
CID 60698418

Frequently Asked Questions

What is the IUPAC name of methyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate (CID 51091345) is methyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)NC(=O)c2ccoc2)CC1.
What is the InChIKey of methyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate?
The InChIKey is QDPMLPBBALIFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-19-12(16)9-2-5-14(6-3-9)21(17,18)13-11(15)10-4-7-20-8-10/h4,7-9H,2-3,5-6H2,1H3,(H,13,15).
What are the key properties of methyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate?
methyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate has a molecular weight of 316.33 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 51091345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).