ethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate

C11H22N2O4S — CID 54952632

IUPACethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N(CC)C1CCNCC1
InChIInChI=1S/C11H22N2O4S/c1-3-13(10-5-7-12-8-6-10)18(15,16)9-11(14)17-4-2/h10,12H,3-9H2,1-2H3
InChIKeyYERJJLFJWIFYIM-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.05
Rot. Bonds6

About ethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate

ethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate (PubChem CID 54952632) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is ethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate
PubChem CID54952632
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Nameethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N(CC)C1CCNCC1
InChIInChI=1S/C11H22N2O4S/c1-3-13(10-5-7-12-8-6-10)18(15,16)9-11(14)17-4-2/h10,12H,3-9H2,1-2H3
InChIKeyYERJJLFJWIFYIM-UHFFFAOYSA-N
XLogP-0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 2-{[1-(ethanesulfonyl)piperidin-4-yl]amino}acetate
CID 86775212
Ethyl 4-({2-[(dimethylamino)sulfonyl]ethyl}amino)piperidine-1-carboxylate
CID 50972043
Ethyl 2-piperidin-1-ylsulfonylacetate
CID 12744308
Methyl (4-aminopiperidine-1-sulfonyl)acetate
CID 61359732
1-((2-Methoxyethyl)sulfonyl)piperidin-4-amine
CID 61608559
3-(4-Aminopiperidin-1-yl)sulfonylpropyl acetate
CID 67403425
Methyl 2-(4-[[(tert-butoxy)carbonyl]amino]piperidine-1-sulfonyl)acetate
CID 118916051
Methyl 2-((4-aminopiperidin-1-yl)sulfonyl)acetate hydrochloride
CID 118916116
Ethyl 2-piperidin-4-ylsulfonylacetate
CID 134086010
3-Piperazin-1-ylsulfonylpropyl acetate
CID 141339113
3-(2-Aminopiperidin-1-yl)sulfonylpropyl acetate
CID 141621051
Ethyl 2-piperidin-4-yloxysulfonylacetate
CID 175234568

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate (CID 54952632) is ethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)N(CC)C1CCNCC1.
What is the InChIKey of ethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate?
The InChIKey is YERJJLFJWIFYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-13(10-5-7-12-8-6-10)18(15,16)9-11(14)17-4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate?
ethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate has a molecular weight of 278.37 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(piperidin-4-yl)sulfamoyl]acetate is sourced from PubChem (CID 54952632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).