N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide

C13H22N2O3S — CID 75500088

IUPACN-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(Cc2ccc(CC)o2)C1
InChIInChI=1S/C13H22N2O3S/c1-3-11-5-6-12(18-11)9-15-8-7-13(10-15)19(16,17)14-4-2/h5-6,13-14H,3-4,7-10H2,1-2H3
InChIKeyBABCKPOYIDPQBU-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.36
Rot. Bonds6

About N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide

N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide (PubChem CID 75500088) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
PubChem CID75500088
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(Cc2ccc(CC)o2)C1
InChIInChI=1S/C13H22N2O3S/c1-3-11-5-6-12(18-11)9-15-8-7-13(10-15)19(16,17)14-4-2/h5-6,13-14H,3-4,7-10H2,1-2H3
InChIKeyBABCKPOYIDPQBU-UHFFFAOYSA-N
XLogP1.36
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
CID 99782185
1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide
CID 75500092
(3S)-1-[(2,6-difluorophenyl)methyl]-N-ethylpyrrolidine-3-sulfonamide
CID 97343920
N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 75518432
1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide
CID 86785232
1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine
CID 75438528
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide
CID 75518425
(9aS)-2-[(5-ethylfuran-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 77093175
1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine
CID 121183067
N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride
CID 120902113
4-[[(3R)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methyl]morpholine
CID 97158913
(3S,4S)-4-(hydroxymethyl)-1-[(5-propylfuran-2-yl)methyl]piperidin-3-ol
CID 133125674

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide?
The IUPAC name of N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide (CID 75500088) is N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide is CCNS(=O)(=O)C1CCN(Cc2ccc(CC)o2)C1.
What is the InChIKey of N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide?
The InChIKey is BABCKPOYIDPQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-11-5-6-12(18-11)9-15-8-7-13(10-15)19(16,17)14-4-2/h5-6,13-14H,3-4,7-10H2,1-2H3.
What are the key properties of N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide?
N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 75500088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).