1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide

C10H14N2O3S2 — CID 168717902

IUPAC1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCc1ccc(CN2CC(S(N)(=O)=O)CC2=O)s1
InChIInChI=1S/C10H14N2O3S2/c1-7-2-3-8(16-7)5-12-6-9(4-10(12)13)17(11,14)15/h2-3,9H,4-6H2,1H3,(H2,11,14,15)
InChIKeyBCEFKZLPJIABHZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.45
Rot. Bonds3

About 1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide

1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717902) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717902
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCc1ccc(CN2CC(S(N)(=O)=O)CC2=O)s1
InChIInChI=1S/C10H14N2O3S2/c1-7-2-3-8(16-7)5-12-6-9(4-10(12)13)17(11,14)15/h2-3,9H,4-6H2,1H3,(H2,11,14,15)
InChIKeyBCEFKZLPJIABHZ-UHFFFAOYSA-N
XLogP0.45
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 168507984
4-ethynyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 168501340
5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718383
1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718315
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717385
1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718434
1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718393
5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718437
5-oxo-1-(2-pyrrol-1-ylethyl)pyrrolidine-3-sulfonamide
CID 168718283
1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718294
1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717537
3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine-2,5-dione
CID 64968470

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide (CID 168717902) is 1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide is Cc1ccc(CN2CC(S(N)(=O)=O)CC2=O)s1.
What is the InChIKey of 1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is BCEFKZLPJIABHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-7-2-3-8(16-7)5-12-6-9(4-10(12)13)17(11,14)15/h2-3,9H,4-6H2,1H3,(H2,11,14,15).
What are the key properties of 1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide?
1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 274.37 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).