5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide

C12H16N2O2S3 — CID 61477775

IUPAC5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)NCCc2ccsc2)s1
InChIInChI=1S/C12H16N2O2S3/c13-6-3-11-1-2-12(18-11)19(15,16)14-7-4-10-5-8-17-9-10/h1-2,5,8-9,14H,3-4,6-7,13H2
InChIKeyGUTJVERJKWKOAC-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.83
Rot. Bonds7

About 5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide (PubChem CID 61477775) has the molecular formula C12H16N2O2S3 and a molecular weight of 316.47 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
PubChem CID61477775
Molecular FormulaC12H16N2O2S3
Molecular Weight316.47 g/mol
Exact Mass316.04
IUPAC Name5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)NCCc2ccsc2)s1
InChIInChI=1S/C12H16N2O2S3/c13-6-3-11-1-2-12(18-11)19(15,16)14-7-4-10-5-8-17-9-10/h1-2,5,8-9,14H,3-4,6-7,13H2
InChIKeyGUTJVERJKWKOAC-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 63244126
4-amino-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 54953251
5-(2-aminoethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106419898
5-(2-aminoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 43520972
5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 113494086
5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide
CID 106050116
2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049842
5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049882
5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 43520900
5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 60903374
5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785
5-(2-thiophen-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 61473467

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide (CID 61477775) is 5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide is NCCc1ccc(S(=O)(=O)NCCc2ccsc2)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide?
The InChIKey is GUTJVERJKWKOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S3/c13-6-3-11-1-2-12(18-11)19(15,16)14-7-4-10-5-8-17-9-10/h1-2,5,8-9,14H,3-4,6-7,13H2.
What are the key properties of 5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61477775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).