5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide

C11H13N3O2S2 — CID 43520810

IUPAC5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)Nc2ccncc2)s1
InChIInChI=1S/C11H13N3O2S2/c12-6-3-10-1-2-11(17-10)18(15,16)14-9-4-7-13-8-5-9/h1-2,4-5,7-8H,3,6,12H2,(H,13,14)
InChIKeyXDTFPTQLUIZRJS-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.45
Rot. Bonds5

About 5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide

5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide (PubChem CID 43520810) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
PubChem CID43520810
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)Nc2ccncc2)s1
InChIInChI=1S/C11H13N3O2S2/c12-6-3-10-1-2-11(17-10)18(15,16)14-9-4-7-13-8-5-9/h1-2,4-5,7-8H,3,6,12H2,(H,13,14)
InChIKeyXDTFPTQLUIZRJS-UHFFFAOYSA-N
XLogP1.45
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785
5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide
CID 43520942
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881
5-(2-aminoethyl)-N-(3-bromo-4-fluorophenyl)thiophene-2-sulfonamide
CID 104779852
5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 79049510
5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
CID 43543966
5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270146
5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide
CID 107806361
5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 43155736
5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 107601110
5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide
CID 43520882
5-(aminomethyl)-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 79240386

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide (CID 43520810) is 5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide is NCCc1ccc(S(=O)(=O)Nc2ccncc2)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide?
The InChIKey is XDTFPTQLUIZRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c12-6-3-10-1-2-11(17-10)18(15,16)14-9-4-7-13-8-5-9/h1-2,4-5,7-8H,3,6,12H2,(H,13,14).
What are the key properties of 5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide?
5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide is sourced from PubChem (CID 43520810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).