methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate

C11H20N2O5S — CID 43407010

IUPACmethyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC(=O)OC)CC1
InChIInChI=1S/C11H20N2O5S/c1-3-19(16,17)13-6-4-9(5-7-13)11(15)12-8-10(14)18-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyZCXRJZFFLZRBSM-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.66
Rot. Bonds5

About methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate

methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate (PubChem CID 43407010) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate
PubChem CID43407010
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Namemethyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC(=O)OC)CC1
InChIInChI=1S/C11H20N2O5S/c1-3-19(16,17)13-6-4-9(5-7-13)11(15)12-8-10(14)18-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyZCXRJZFFLZRBSM-UHFFFAOYSA-N
XLogP-0.66
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2-hydroxypropanoate
CID 103879591
3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369311
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate
CID 43623309
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium
CID 3636219
5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 62032483
1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 103891036
2-[2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241575
3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
CID 60950734
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 3687178
1-ethylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94049674
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]acetate
CID 79527105

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate (CID 43407010) is methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate is CCS(=O)(=O)N1CCC(C(=O)NCC(=O)OC)CC1.
What is the InChIKey of methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate?
The InChIKey is ZCXRJZFFLZRBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-3-19(16,17)13-6-4-9(5-7-13)11(15)12-8-10(14)18-2/h9H,3-8H2,1-2H3,(H,12,15).
What are the key properties of methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate?
methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate has a molecular weight of 292.36 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate is sourced from PubChem (CID 43407010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).