methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate

C15H23N3O5S — CID 9236283

IUPACmethyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)CC1
InChIInChI=1S/C15H23N3O5S/c1-16(2)24(21,22)13-4-5-14(19)18(10-13)11-17-8-6-12(7-9-17)15(20)23-3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyQUTQDUJKAHRUJR-UHFFFAOYSA-N
MW357.43 g/mol
LogP-0.06
Rot. Bonds5

About methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate

methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate (PubChem CID 9236283) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate
PubChem CID9236283
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Namemethyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)CC1
InChIInChI=1S/C15H23N3O5S/c1-16(2)24(21,22)13-4-5-14(19)18(10-13)11-17-8-6-12(7-9-17)15(20)23-3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyQUTQDUJKAHRUJR-UHFFFAOYSA-N
XLogP-0.06
TPSA88.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate (CID 9236283) is methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)CC1.
What is the InChIKey of methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate?
The InChIKey is QUTQDUJKAHRUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-16(2)24(21,22)13-4-5-14(19)18(10-13)11-17-8-6-12(7-9-17)15(20)23-3/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate?
methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate has a molecular weight of 357.43 g/mol, XLogP of -0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 9236283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).