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

C13H20N2O3S2 — CID 65388638

IUPAC5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESCC1CCCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)C1C
InChIInChI=1S/C13H20N2O3S2/c1-9-4-3-7-15(10(9)2)12(16)8-11-5-6-13(19-11)20(14,17)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,14,17,18)
InChIKeyFYBKYFWSDFZWGC-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.59
Rot. Bonds3

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

5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 65388638) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID65388638
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESCC1CCCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)C1C
InChIInChI=1S/C13H20N2O3S2/c1-9-4-3-7-15(10(9)2)12(16)8-11-5-6-13(19-11)20(14,17)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,14,17,18)
InChIKeyFYBKYFWSDFZWGC-UHFFFAOYSA-N
XLogP1.59
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 114597584
5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 62732523
5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 60759039
2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 81322765
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone;hydrochloride
CID 119633329
1-(2,3-dimethylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 120570768
1-(2,3-dimethylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 120571795
1-(2-ethylpiperidin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 112760227
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119650907
2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60758764
1-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 60604851
N-(4,4-dimethylcyclohexyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 65382614

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (CID 65388638) is 5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is CC1CCCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)C1C.
What is the InChIKey of 5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is FYBKYFWSDFZWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-9-4-3-7-15(10(9)2)12(16)8-11-5-6-13(19-11)20(14,17)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,14,17,18).
What are the key properties of 5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 65388638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).