methyl 1-(diethylsulfamoyl)piperidine-4-carboxylate

C11H22N2O4S — CID 43409810

IUPACmethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C11H22N2O4S/c1-4-12(5-2)18(15,16)13-8-6-10(7-9-13)11(14)17-3/h10H,4-9H2,1-3H3
InChIKeyZGKLEBUCHHPIOY-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.46
Rot. Bonds5

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

methyl 1-(diethylsulfamoyl)piperidine-4-carboxylate (PubChem CID 43409810) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is methyl 1-(diethylsulfamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
PubChem CID43409810
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Namemethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C11H22N2O4S/c1-4-12(5-2)18(15,16)13-8-6-10(7-9-13)11(14)17-3/h10H,4-9H2,1-3H3
InChIKeyZGKLEBUCHHPIOY-UHFFFAOYSA-N
XLogP0.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate
CID 2763709
1-[(4-Methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxylic acid
CID 5071683
Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
CID 669104
Ethyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228198
Methyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228361
1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
Methyl 1-sulfamoylpiperidine-4-carboxylate
CID 25323924
Ethyl 1-(fluorosulfonyl)piperidine-4-carboxylate
CID 122235964
Methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate
CID 56828082
[1-(Chlorosulfonyl)piperidin-4-yl]methyl acetate
CID 138040564
methyl 1-(dimethyl-S-aminosulfonimidoyl)piperidine-4-carboxylate hydrochloride
CID 139022590
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844

Frequently Asked Questions

What is the IUPAC name of methyl 1-(diethylsulfamoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(diethylsulfamoyl)piperidine-4-carboxylate (CID 43409810) is methyl 1-(diethylsulfamoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(diethylsulfamoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(diethylsulfamoyl)piperidine-4-carboxylate is CCN(CC)S(=O)(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(diethylsulfamoyl)piperidine-4-carboxylate?
The InChIKey is ZGKLEBUCHHPIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-4-12(5-2)18(15,16)13-8-6-10(7-9-13)11(14)17-3/h10H,4-9H2,1-3H3.
What are the key properties of methyl 1-(diethylsulfamoyl)piperidine-4-carboxylate?
methyl 1-(diethylsulfamoyl)piperidine-4-carboxylate has a molecular weight of 278.37 g/mol, XLogP of 0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(diethylsulfamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 43409810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).