5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

C11H16N2O3S2 — CID 62732523

IUPAC5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESCC1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)C1
InChIInChI=1S/C11H16N2O3S2/c1-8-4-5-13(7-8)10(14)6-9-2-3-11(17-9)18(12,15)16/h2-3,8H,4-7H2,1H3,(H2,12,15,16)
InChIKeyXKRBXOCHEHNPCA-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.81
Rot. Bonds3

About 5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 62732523) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID62732523
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESCC1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)C1
InChIInChI=1S/C11H16N2O3S2/c1-8-4-5-13(7-8)10(14)6-9-2-3-11(17-9)18(12,15)16/h2-3,8H,4-7H2,1H3,(H2,12,15,16)
InChIKeyXKRBXOCHEHNPCA-UHFFFAOYSA-N
XLogP0.81
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 60759039
5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 65388638
5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 114597584
5-[2-(3-methoxy-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 102970887
1-(3-methylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119578248
1-(3-aminopiperidin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119379191
2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60758764
1-(4-aminopiperidin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119375493
2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 63590667
N-(4,4-dimethylcyclohexyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 65382614
5-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 103540932
N-(4-ethylcyclohexyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60759072

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (CID 62732523) is 5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is CC1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)C1.
What is the InChIKey of 5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is XKRBXOCHEHNPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-8-4-5-13(7-8)10(14)6-9-2-3-11(17-9)18(12,15)16/h2-3,8H,4-7H2,1H3,(H2,12,15,16).
What are the key properties of 5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 288.39 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 62732523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).