ethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate

C13H25N3O5S — CID 110343320

IUPACethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H25N3O5S/c1-4-21-13(18)16-8-5-11(6-9-16)14-12(17)7-10-22(19,20)15(2)3/h11H,4-10H2,1-3H3,(H,14,17)
InChIKeyYGGOVMSXQJRSIM-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.00
Rot. Bonds6

About ethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate (PubChem CID 110343320) has the molecular formula C13H25N3O5S and a molecular weight of 335.43 g/mol. Its IUPAC name is ethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate
PubChem CID110343320
Molecular FormulaC13H25N3O5S
Molecular Weight335.43 g/mol
Exact Mass335.15
IUPAC Nameethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H25N3O5S/c1-4-21-13(18)16-8-5-11(6-9-16)14-12(17)7-10-22(19,20)15(2)3/h11H,4-10H2,1-3H3,(H,14,17)
InChIKeyYGGOVMSXQJRSIM-UHFFFAOYSA-N
XLogP0.00
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate (CID 110343320) is ethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCS(=O)(=O)N(C)C)CC1.
What is the InChIKey of ethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate?
The InChIKey is YGGOVMSXQJRSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O5S/c1-4-21-13(18)16-8-5-11(6-9-16)14-12(17)7-10-22(19,20)15(2)3/h11H,4-10H2,1-3H3,(H,14,17).
What are the key properties of ethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate has a molecular weight of 335.43 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(dimethylsulfamoyl)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 110343320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).