ethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate

C17H25N3O4S — CID 56899189

IUPACethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)N2CCCC2c2ccccn2)CC1
InChIInChI=1S/C17H25N3O4S/c1-2-24-17(21)14-8-12-19(13-9-14)25(22,23)20-11-5-7-16(20)15-6-3-4-10-18-15/h3-4,6,10,14,16H,2,5,7-9,11-13H2,1H3
InChIKeyFKZVBWBEFXVUSG-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.74
Rot. Bonds5

About ethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate

ethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate (PubChem CID 56899189) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is ethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate
PubChem CID56899189
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Nameethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)N2CCCC2c2ccccn2)CC1
InChIInChI=1S/C17H25N3O4S/c1-2-24-17(21)14-8-12-19(13-9-14)25(22,23)20-11-5-7-16(20)15-6-3-4-10-18-15/h3-4,6,10,14,16H,2,5,7-9,11-13H2,1H3
InChIKeyFKZVBWBEFXVUSG-UHFFFAOYSA-N
XLogP1.74
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 23959675
ethyl 1-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 42956034
ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62028172
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
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CID 97184210
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride
CID 177052799
2-[(2R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 97018175
2-[(2S)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 124733704
2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
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ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 65427988

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate (CID 56899189) is ethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)N2CCCC2c2ccccn2)CC1.
What is the InChIKey of ethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate?
The InChIKey is FKZVBWBEFXVUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-2-24-17(21)14-8-12-19(13-9-14)25(22,23)20-11-5-7-16(20)15-6-3-4-10-18-15/h3-4,6,10,14,16H,2,5,7-9,11-13H2,1H3.
What are the key properties of ethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate?
ethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate has a molecular weight of 367.47 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-pyridin-2-ylpyrrolidin-1-yl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 56899189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).