ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate

C13H24N2O5S — CID 61012248

IUPACethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H24N2O5S/c1-4-14(10-12(16)20-5-2)13(17)11-6-8-15(9-7-11)21(3,18)19/h11H,4-10H2,1-3H3
InChIKeyJUGSIQOZILCQFP-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.07
Rot. Bonds6

About ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate

ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate (PubChem CID 61012248) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate
PubChem CID61012248
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Nameethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H24N2O5S/c1-4-14(10-12(16)20-5-2)13(17)11-6-8-15(9-7-11)21(3,18)19/h11H,4-10H2,1-3H3
InChIKeyJUGSIQOZILCQFP-UHFFFAOYSA-N
XLogP0.07
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide
CID 94174849
ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate
CID 87031091
ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate
CID 79005878
N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide
CID 86865848
ethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate
CID 55726709
ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate
CID 61342746
N,N-diethyl-1-methoxypiperidine-4-carboxamide
CID 59857748
N-cyclopentyl-N-cyclopropyl-1-methylsulfonylpiperidine-4-carboxamide
CID 110872931
ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate
CID 55003374
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate
CID 61383495
3-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]butanoic acid
CID 62820513
ethyl 2-[carbonochloridoyl(ethyl)amino]acetate
CID 168874340

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate (CID 61012248) is ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate is CCOC(=O)CN(CC)C(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate?
The InChIKey is JUGSIQOZILCQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-4-14(10-12(16)20-5-2)13(17)11-6-8-15(9-7-11)21(3,18)19/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate?
ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate has a molecular weight of 320.41 g/mol, XLogP of 0.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate is sourced from PubChem (CID 61012248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).