ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate

C12H24N2O4S — CID 43409802

IUPACethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C12H24N2O4S/c1-4-13(5-2)19(16,17)14-9-7-11(8-10-14)12(15)18-6-3/h11H,4-10H2,1-3H3
InChIKeyYVFUBPSGCMPEFE-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.85
Rot. Bonds6

About ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate

ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate (PubChem CID 43409802) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
PubChem CID43409802
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Nameethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C12H24N2O4S/c1-4-13(5-2)19(16,17)14-9-7-11(8-10-14)12(15)18-6-3/h11H,4-10H2,1-3H3
InChIKeyYVFUBPSGCMPEFE-UHFFFAOYSA-N
XLogP0.85
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate (CID 43409802) is ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)N(CC)CC)CC1.
What is the InChIKey of ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate?
The InChIKey is YVFUBPSGCMPEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-4-13(5-2)19(16,17)14-9-7-11(8-10-14)12(15)18-6-3/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate?
ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate has a molecular weight of 292.40 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 43409802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).