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

C13H16N2O2S2 — CID 43155731

IUPAC5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CN)s2)cc1C
InChIInChI=1S/C13H16N2O2S2/c1-9-3-4-11(7-10(9)2)15-19(16,17)13-6-5-12(8-14)18-13/h3-7,15H,8,14H2,1-2H3
InChIKeyILSJYEJMGCBWMH-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.62
Rot. Bonds4

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

5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide (PubChem CID 43155731) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
PubChem CID43155731
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CN)s2)cc1C
InChIInChI=1S/C13H16N2O2S2/c1-9-3-4-11(7-10(9)2)15-19(16,17)13-6-5-12(8-14)18-13/h3-7,15H,8,14H2,1-2H3
InChIKeyILSJYEJMGCBWMH-UHFFFAOYSA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
5-(aminomethyl)-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 79240386
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 43155736
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 43332813
N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide
CID 53067981
5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 43155714
2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 28546366
N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106058540
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50846922

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide (CID 43155731) is 5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(CN)s2)cc1C.
What is the InChIKey of 5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide?
The InChIKey is ILSJYEJMGCBWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-9-3-4-11(7-10(9)2)15-19(16,17)13-6-5-12(8-14)18-13/h3-7,15H,8,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 43155731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).