5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide

C13H16N2O3S2 — CID 43332828

IUPAC5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C13H16N2O3S2/c1-18-12-5-3-2-4-10(12)9-15-20(16,17)13-7-6-11(8-14)19-13/h2-7,15H,8-9,14H2,1H3
InChIKeyWURNQDWMDAZJEL-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.69
Rot. Bonds6

About 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide

5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 43332828) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID43332828
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C13H16N2O3S2/c1-18-12-5-3-2-4-10(12)9-15-20(16,17)13-7-6-11(8-14)19-13/h2-7,15H,8-9,14H2,1H3
InChIKeyWURNQDWMDAZJEL-UHFFFAOYSA-N
XLogP1.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 87031963
2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 43455847
N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111981
5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 106262606
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220
5-(aminomethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 43155671
N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 87032979
5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 43520900
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53068164
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817
5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 43155714
N-[5-[(E)-2-[5-[(2-methoxyphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 50842246

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide (CID 43332828) is 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide is COc1ccccc1CNS(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is WURNQDWMDAZJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-18-12-5-3-2-4-10(12)9-15-20(16,17)13-7-6-11(8-14)19-13/h2-7,15H,8-9,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 43332828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).