ethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate

C12H23N3O4S — CID 43605490

IUPACethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C12H23N3O4S/c1-2-19-12(16)11-6-4-8-15(11)20(17,18)14-7-3-5-10(13)9-14/h10-11H,2-9,13H2,1H3
InChIKeyZGASKONEOITUJV-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.32
Rot. Bonds4

About ethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate

ethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 43605490) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate
PubChem CID43605490
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Nameethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C12H23N3O4S/c1-2-19-12(16)11-6-4-8-15(11)20(17,18)14-7-3-5-10(13)9-14/h10-11H,2-9,13H2,1H3
InChIKeyZGASKONEOITUJV-UHFFFAOYSA-N
XLogP-0.32
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[3-(hydroxymethyl)piperidin-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 43589603
ethyl 1-(3,5-dimethylpiperazin-1-yl)sulfonylpyrrolidine-2-carboxylate
CID 63871963
ethyl (2R)-1-thiomorpholin-4-ylsulfonylpiperidine-2-carboxylate
CID 94810365
ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate
CID 81308957
ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
CID 43362367
ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
CID 81318780
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637
ethyl 1-[(2S)-2-methylpiperazin-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 82755269
methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate
CID 102984420
ethyl 1-[(2-amino-2-methylpropyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 115303483
methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate
CID 79829978
ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 112548538

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate (CID 43605490) is ethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1S(=O)(=O)N1CCCC(N)C1.
What is the InChIKey of ethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is ZGASKONEOITUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-2-19-12(16)11-6-4-8-15(11)20(17,18)14-7-3-5-10(13)9-14/h10-11H,2-9,13H2,1H3.
What are the key properties of ethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate?
ethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate has a molecular weight of 305.40 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 43605490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).