ethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate

C12H25N3O4S — CID 50972043

IUPACethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C12H25N3O4S/c1-4-19-12(16)15-8-5-11(6-9-15)13-7-10-20(17,18)14(2)3/h11,13H,4-10H2,1-3H3
InChIKeyPSBUZYUQYGTORI-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.09
Rot. Bonds6

About ethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate

ethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate (PubChem CID 50972043) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is ethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate
PubChem CID50972043
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Nameethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C12H25N3O4S/c1-4-19-12(16)15-8-5-11(6-9-15)13-7-10-20(17,18)14(2)3/h11,13H,4-10H2,1-3H3
InChIKeyPSBUZYUQYGTORI-UHFFFAOYSA-N
XLogP0.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate (CID 50972043) is ethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCS(=O)(=O)N(C)C)CC1.
What is the InChIKey of ethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate?
The InChIKey is PSBUZYUQYGTORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-4-19-12(16)15-8-5-11(6-9-15)13-7-10-20(17,18)14(2)3/h11,13H,4-10H2,1-3H3.
What are the key properties of ethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate?
ethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate has a molecular weight of 307.42 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 50972043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).