ethyl 1-(propylsulfamoyl)piperidine-3-carboxylate

C11H22N2O4S — CID 43247516

IUPACethyl 1-(propylsulfamoyl)piperidine-3-carboxylate
SMILESCCCNS(=O)(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C11H22N2O4S/c1-3-7-12-18(15,16)13-8-5-6-10(9-13)11(14)17-4-2/h10,12H,3-9H2,1-2H3
InChIKeyKINGHLSIXXMKQT-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.51
Rot. Bonds6

About ethyl 1-(propylsulfamoyl)piperidine-3-carboxylate

ethyl 1-(propylsulfamoyl)piperidine-3-carboxylate (PubChem CID 43247516) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is ethyl 1-(propylsulfamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(propylsulfamoyl)piperidine-3-carboxylate
PubChem CID43247516
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Nameethyl 1-(propylsulfamoyl)piperidine-3-carboxylate
SMILESCCCNS(=O)(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C11H22N2O4S/c1-3-7-12-18(15,16)13-8-5-6-10(9-13)11(14)17-4-2/h10,12H,3-9H2,1-2H3
InChIKeyKINGHLSIXXMKQT-UHFFFAOYSA-N
XLogP0.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(propylsulfamoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(propylsulfamoyl)piperidine-3-carboxylate (CID 43247516) is ethyl 1-(propylsulfamoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(propylsulfamoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(propylsulfamoyl)piperidine-3-carboxylate is CCCNS(=O)(=O)N1CCCC(C(=O)OCC)C1.
What is the InChIKey of ethyl 1-(propylsulfamoyl)piperidine-3-carboxylate?
The InChIKey is KINGHLSIXXMKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-7-12-18(15,16)13-8-5-6-10(9-13)11(14)17-4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of ethyl 1-(propylsulfamoyl)piperidine-3-carboxylate?
ethyl 1-(propylsulfamoyl)piperidine-3-carboxylate has a molecular weight of 278.37 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(propylsulfamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 43247516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).