ethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate

C14H28N2O4S — CID 43423574

IUPACethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate
SMILESCCCN(CCC)S(=O)(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C14H28N2O4S/c1-4-9-15(10-5-2)21(18,19)16-11-7-13(8-12-16)14(17)20-6-3/h13H,4-12H2,1-3H3
InChIKeyPBKGIUWJDXVQLL-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.63
Rot. Bonds8

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

ethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate (PubChem CID 43423574) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is ethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate
PubChem CID43423574
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Nameethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate
SMILESCCCN(CCC)S(=O)(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C14H28N2O4S/c1-4-9-15(10-5-2)21(18,19)16-11-7-13(8-12-16)14(17)20-6-3/h13H,4-12H2,1-3H3
InChIKeyPBKGIUWJDXVQLL-UHFFFAOYSA-N
XLogP1.63
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate (CID 43423574) is ethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate is CCCN(CCC)S(=O)(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate?
The InChIKey is PBKGIUWJDXVQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-4-9-15(10-5-2)21(18,19)16-11-7-13(8-12-16)14(17)20-6-3/h13H,4-12H2,1-3H3.
What are the key properties of ethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate?
ethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate has a molecular weight of 320.46 g/mol, XLogP of 1.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(dipropylsulfamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 43423574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).