5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide

C13H16N2O3S2 — CID 107736812

IUPAC5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C13H16N2O3S2/c1-15(10-3-2-4-11(16)9-10)20(17,18)13-6-5-12(19-13)7-8-14/h2-6,9,16H,7-8,14H2,1H3
InChIKeyUMFMQWIGDJMSEZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.78
Rot. Bonds5

About 5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide

5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide (PubChem CID 107736812) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide
PubChem CID107736812
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C13H16N2O3S2/c1-15(10-3-2-4-11(16)9-10)20(17,18)13-6-5-12(19-13)7-8-14/h2-6,9,16H,7-8,14H2,1H3
InChIKeyUMFMQWIGDJMSEZ-UHFFFAOYSA-N
XLogP1.78
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide
CID 62004378
5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide
CID 106272065
5-(2-aminoethyl)-N,N-dibutylthiophene-2-sulfonamide
CID 43520957
5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide
CID 43520862
5-(2-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54879826
5-(2-aminoethyl)-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 43520978
5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide
CID 113499673
5-amino-N-(3-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 107733505
N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide
CID 61296020
5-(2-aminoethyl)-N-methyl-N-(3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 114237748
5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide
CID 103748005
5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 61447206

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide (CID 107736812) is 5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide is CN(c1cccc(O)c1)S(=O)(=O)c1ccc(CCN)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is UMFMQWIGDJMSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-15(10-3-2-4-11(16)9-10)20(17,18)13-6-5-12(19-13)7-8-14/h2-6,9,16H,7-8,14H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.78, 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-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 107736812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).