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

C13H20N2O3S2 — CID 60759039

IUPAC5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CC(=O)N2CCCCCCC2)s1
InChIInChI=1S/C13H20N2O3S2/c14-20(17,18)13-7-6-11(19-13)10-12(16)15-8-4-2-1-3-5-9-15/h6-7H,1-5,8-10H2,(H2,14,17,18)
InChIKeyCKFXOIITBKSFGF-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.73
Rot. Bonds3

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

5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 60759039) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID60759039
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CC(=O)N2CCCCCCC2)s1
InChIInChI=1S/C13H20N2O3S2/c14-20(17,18)13-7-6-11(19-13)10-12(16)15-8-4-2-1-3-5-9-15/h6-7H,1-5,8-10H2,(H2,14,17,18)
InChIKeyCKFXOIITBKSFGF-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
5-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 62732523
1-(4-aminopiperidin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119375493
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 113224273
N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111031033
2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60758764
N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide
CID 53067981
5-[2-(2,3-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 65388638
5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide
CID 53067986
1-(3-aminopiperidin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119379191
2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067992
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119545474

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (CID 60759039) is 5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(CC(=O)N2CCCCCCC2)s1.
What is the InChIKey of 5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is CKFXOIITBKSFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c14-20(17,18)13-7-6-11(19-13)10-12(16)15-8-4-2-1-3-5-9-15/h6-7H,1-5,8-10H2,(H2,14,17,18).
What are the key properties of 5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 60759039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).