ethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate

C18H30N2O7S — CID 55442436

IUPACethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCCS(=O)(=O)N1CCCC1C(=O)OCC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C18H30N2O7S/c1-3-12-28(24,25)20-9-5-6-15(20)18(23)27-13-16(21)19-10-7-14(8-11-19)17(22)26-4-2/h14-15H,3-13H2,1-2H3
InChIKeyFZXZQASYUAJMTP-UHFFFAOYSA-N
MW418.51 g/mol
LogP0.54
Rot. Bonds8

About ethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 55442436) has the molecular formula C18H30N2O7S and a molecular weight of 418.51 g/mol. Its IUPAC name is ethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
PubChem CID55442436
Molecular FormulaC18H30N2O7S
Molecular Weight418.51 g/mol
Exact Mass418.18
IUPAC Nameethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCCS(=O)(=O)N1CCCC1C(=O)OCC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C18H30N2O7S/c1-3-12-28(24,25)20-9-5-6-15(20)18(23)27-13-16(21)19-10-7-14(8-11-19)17(22)26-4-2/h14-15H,3-13H2,1-2H3
InChIKeyFZXZQASYUAJMTP-UHFFFAOYSA-N
XLogP0.54
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 1-propylsulfonylpyrrolidine-2-carboxylate
CID 55477323
3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid
CID 43648308
ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 112548538
ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate
CID 60811787
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637
[2-(azepan-1-yl)-2-oxoethyl] 1-acetylpiperidine-4-carboxylate
CID 78763820
cycloheptyl (2R)-1-propylsulfonylpiperidine-2-carboxylate
CID 97027992
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 61448316
2-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55993696
ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
CID 43362367

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate (CID 55442436) is ethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate is CCCS(=O)(=O)N1CCCC1C(=O)OCC(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is FZXZQASYUAJMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O7S/c1-3-12-28(24,25)20-9-5-6-15(20)18(23)27-13-16(21)19-10-7-14(8-11-19)17(22)26-4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of ethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 418.51 g/mol, XLogP of 0.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(1-propylsulfonylpyrrolidine-2-carbonyl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 55442436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).