ethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate

C13H26N2O4S — CID 43423575

IUPACethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate
SMILESCCCCN(C)S(=O)(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C13H26N2O4S/c1-4-6-9-14(3)20(17,18)15-10-7-12(8-11-15)13(16)19-5-2/h12H,4-11H2,1-3H3
InChIKeyWDLAQOOQNNUSDG-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.24
Rot. Bonds7

About ethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate

ethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate (PubChem CID 43423575) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is ethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate
PubChem CID43423575
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Nameethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate
SMILESCCCCN(C)S(=O)(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C13H26N2O4S/c1-4-6-9-14(3)20(17,18)15-10-7-12(8-11-15)13(16)19-5-2/h12H,4-11H2,1-3H3
InChIKeyWDLAQOOQNNUSDG-UHFFFAOYSA-N
XLogP1.24
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate (CID 43423575) is ethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate is CCCCN(C)S(=O)(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate?
The InChIKey is WDLAQOOQNNUSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-4-6-9-14(3)20(17,18)15-10-7-12(8-11-15)13(16)19-5-2/h12H,4-11H2,1-3H3.
What are the key properties of ethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate?
ethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate has a molecular weight of 306.43 g/mol, XLogP of 1.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[butyl(methyl)sulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 43423575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).