N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide

C14H23N3O3S — CID 103810373

IUPACN-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C14H23N3O3S/c1-2-21(19,20)11-9-16-14(18)13-4-3-10-17(13)12-5-7-15-8-6-12/h3-4,10,12,15H,2,5-9,11H2,1H3,(H,16,18)
InChIKeyFUXPYNRYBWRXID-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.58
Rot. Bonds6

About N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide

N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 103810373) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID103810373
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C14H23N3O3S/c1-2-21(19,20)11-9-16-14(18)13-4-3-10-17(13)12-5-7-15-8-6-12/h3-4,10,12,15H,2,5-9,11H2,1H3,(H,16,18)
InChIKeyFUXPYNRYBWRXID-UHFFFAOYSA-N
XLogP0.58
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[2-(2-ethylsulfonylethylcarbamoyl)pyrrol-1-yl]piperidine-1-carboxylate
CID 56580959
1-piperidin-4-yl-N-(2-pyrazol-1-ylethyl)pyrrole-2-carboxamide
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N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide
CID 62715930
N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106213127
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811345
N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106328568
N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739845
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 81494193
N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106175020
N-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 91645696

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide (CID 103810373) is N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide is CCS(=O)(=O)CCNC(=O)c1cccn1C1CCNCC1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is FUXPYNRYBWRXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-21(19,20)11-9-16-14(18)13-4-3-10-17(13)12-5-7-15-8-6-12/h3-4,10,12,15H,2,5-9,11H2,1H3,(H,16,18).
What are the key properties of N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 103810373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).