5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide

C14H18N2O2S2 — CID 43520881

IUPAC5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCN)s2)cc1C
InChIInChI=1S/C14H18N2O2S2/c1-10-3-4-12(9-11(10)2)16-20(17,18)14-6-5-13(19-14)7-8-15/h3-6,9,16H,7-8,15H2,1-2H3
InChIKeySARANGFSAGZPMF-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.67
Rot. Bonds5

About 5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide (PubChem CID 43520881) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
PubChem CID43520881
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCN)s2)cc1C
InChIInChI=1S/C14H18N2O2S2/c1-10-3-4-12(9-11(10)2)16-20(17,18)14-6-5-13(19-14)7-8-15/h3-6,9,16H,7-8,15H2,1-2H3
InChIKeySARANGFSAGZPMF-UHFFFAOYSA-N
XLogP2.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43155731
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
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-phenylthiophene-2-sulfonamide
CID 43520785
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
CID 43520810
5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide
CID 107806361
5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide
CID 43520942
5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide
CID 43520882
5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 79729691
5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 107601110

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide (CID 43520881) is 5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(CCN)s2)cc1C.
What is the InChIKey of 5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide?
The InChIKey is SARANGFSAGZPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10-3-4-12(9-11(10)2)16-20(17,18)14-6-5-13(19-14)7-8-15/h3-6,9,16H,7-8,15H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 43520881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).