N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide

C13H20N2O3S2 — CID 75440596

IUPACN-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(C(=O)CCc2ccsc2)C1
InChIInChI=1S/C13H20N2O3S2/c1-2-14-20(17,18)12-5-7-15(9-12)13(16)4-3-11-6-8-19-10-11/h6,8,10,12,14H,2-5,7,9H2,1H3
InChIKeyDFAHMONKWFBEMY-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.22
Rot. Bonds6

About N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide

N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide (PubChem CID 75440596) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide
PubChem CID75440596
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(C(=O)CCc2ccsc2)C1
InChIInChI=1S/C13H20N2O3S2/c1-2-14-20(17,18)12-5-7-15(9-12)13(16)4-3-11-6-8-19-10-11/h6,8,10,12,14H,2-5,7,9H2,1H3
InChIKeyDFAHMONKWFBEMY-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 75518432
1-(3-aminopyrrolidin-1-yl)-3-thiophen-3-ylpropan-1-one;hydrochloride
CID 119482531
1-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one;hydrochloride
CID 119934516
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide
CID 162521821
(3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide
CID 97158472
(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
CID 124700575
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 72912565
3-methoxy-1-(3-thiophen-3-ylpropanoyl)azetidine-3-carboxylic acid
CID 166310545
3-(4-bromophenyl)-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one
CID 90586896
N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420720
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 71926811

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide (CID 75440596) is N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide is CCNS(=O)(=O)C1CCN(C(=O)CCc2ccsc2)C1.
What is the InChIKey of N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide?
The InChIKey is DFAHMONKWFBEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-2-14-20(17,18)12-5-7-15(9-12)13(16)4-3-11-6-8-19-10-11/h6,8,10,12,14H,2-5,7,9H2,1H3.
What are the key properties of N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide?
N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 75440596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).