5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide

C11H16N2O3S2 — CID 47139078

IUPAC5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCCC2)s1
InChIInChI=1S/C11H16N2O3S2/c1-9-4-5-11(17-9)18(15,16)12-8-10(14)13-6-2-3-7-13/h4-5,12H,2-3,6-8H2,1H3
InChIKeyJBJOGHHCOBTKRF-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.96
Rot. Bonds4

About 5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide

5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 47139078) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
PubChem CID47139078
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCCC2)s1
InChIInChI=1S/C11H16N2O3S2/c1-9-4-5-11(17-9)18(15,16)12-8-10(14)13-6-2-3-7-13/h4-5,12H,2-3,6-8H2,1H3
InChIKeyJBJOGHHCOBTKRF-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide
CID 112994626
5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 110407051
N-cyclopentyl-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112990935
5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5056774
5-chloro-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 60894936
1-(azepan-1-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 26390006
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide
CID 119376871
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
2,2-dimethyl-3-[(5-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 115427424
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide (CID 47139078) is 5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC2)s1.
What is the InChIKey of 5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is JBJOGHHCOBTKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-9-4-5-11(17-9)18(15,16)12-8-10(14)13-6-2-3-7-13/h4-5,12H,2-3,6-8H2,1H3.
What are the key properties of 5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 288.39 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 47139078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).