N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide

C13H20N2O3S2 — CID 75448273

IUPACN-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
SMILESCCN(C)S(=O)(=O)N1CCCC1CC(=O)c1cccs1
InChIInChI=1S/C13H20N2O3S2/c1-3-14(2)20(17,18)15-8-4-6-11(15)10-12(16)13-7-5-9-19-13/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyUEILGPLBNWONHS-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.98
Rot. Bonds6

About N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide

N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide (PubChem CID 75448273) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
PubChem CID75448273
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
SMILESCCN(C)S(=O)(=O)N1CCCC1CC(=O)c1cccs1
InChIInChI=1S/C13H20N2O3S2/c1-3-14(2)20(17,18)15-8-4-6-11(15)10-12(16)13-7-5-9-19-13/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyUEILGPLBNWONHS-UHFFFAOYSA-N
XLogP1.98
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 97340121
N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide
CID 75448267
2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid
CID 166267257
5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 155969247
2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide
CID 79489459
tert-butyl 2-(2-oxo-2-thiophen-2-ylethyl)azepane-1-carboxylate
CID 102567607
2-[(2S)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 95974386
2-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 75517761
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 167946409
2-[(2R)-1-benzylazepan-2-yl]-1-thiophen-2-ylethanone
CID 99978766
N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61410795
N-ethyl-N,2-dimethylpyrrolidine-1-sulfonamide
CID 130840821

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide (CID 75448273) is N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide is CCN(C)S(=O)(=O)N1CCCC1CC(=O)c1cccs1.
What is the InChIKey of N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide?
The InChIKey is UEILGPLBNWONHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-3-14(2)20(17,18)15-8-4-6-11(15)10-12(16)13-7-5-9-19-13/h5,7,9,11H,3-4,6,8,10H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide?
N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 75448273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).