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

C11H14N2O2S3 — CID 63244126

IUPAC5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)NCc2ccsc2)s1
InChIInChI=1S/C11H14N2O2S3/c12-5-3-10-1-2-11(17-10)18(14,15)13-7-9-4-6-16-8-9/h1-2,4,6,8,13H,3,5,7,12H2
InChIKeyYFEJCZIUUHJKDK-UHFFFAOYSA-N
MW302.45 g/mol
LogP1.79
Rot. Bonds6

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

5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 63244126) has the molecular formula C11H14N2O2S3 and a molecular weight of 302.45 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID63244126
Molecular FormulaC11H14N2O2S3
Molecular Weight302.45 g/mol
Exact Mass302.02
IUPAC Name5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)NCc2ccsc2)s1
InChIInChI=1S/C11H14N2O2S3/c12-5-3-10-1-2-11(17-10)18(14,15)13-7-9-4-6-16-8-9/h1-2,4,6,8,13H,3,5,7,12H2
InChIKeyYFEJCZIUUHJKDK-UHFFFAOYSA-N
XLogP1.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 61477775
5-(2-aminoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 43520972
5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 60903374
5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 43520900
N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 62500636
5-(2-aminoethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106049150
5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785
5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 113494086
1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 63247713
5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 43520923
5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
CID 43520810
3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 55175261

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide (CID 63244126) is 5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide is NCCc1ccc(S(=O)(=O)NCc2ccsc2)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is YFEJCZIUUHJKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S3/c12-5-3-10-1-2-11(17-10)18(14,15)13-7-9-4-6-16-8-9/h1-2,4,6,8,13H,3,5,7,12H2.
What are the key properties of 5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 302.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 63244126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).