N-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide

C13H20N2O3S2 — CID 84590708

IUPACN-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(=O)N1CC(c2ccsc2)CC1C
InChIInChI=1S/C13H20N2O3S2/c1-3-20(17,18)14-7-13(16)15-8-12(6-10(15)2)11-4-5-19-9-11/h4-5,9-10,12,14H,3,6-8H2,1-2H3
InChIKeySZCOSWIUXMCINK-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.39
Rot. Bonds5

About N-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide

N-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide (PubChem CID 84590708) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide
PubChem CID84590708
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(=O)N1CC(c2ccsc2)CC1C
InChIInChI=1S/C13H20N2O3S2/c1-3-20(17,18)14-7-13(16)15-8-12(6-10(15)2)11-4-5-19-9-11/h4-5,9-10,12,14H,3,6-8H2,1-2H3
InChIKeySZCOSWIUXMCINK-UHFFFAOYSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide?
The IUPAC name of N-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide (CID 84590708) is N-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide is CCS(=O)(=O)NCC(=O)N1CC(c2ccsc2)CC1C.
What is the InChIKey of N-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide?
The InChIKey is SZCOSWIUXMCINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-3-20(17,18)14-7-13(16)15-8-12(6-10(15)2)11-4-5-19-9-11/h4-5,9-10,12,14H,3,6-8H2,1-2H3.
What are the key properties of N-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide?
N-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-2-oxoethyl]ethanesulfonamide is sourced from PubChem (CID 84590708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).