5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide

C14H18N2O3S2 — CID 61418235

IUPAC5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C14H18N2O3S2/c1-16(10-11-3-5-12(19-2)6-4-11)21(17,18)14-8-7-13(9-15)20-14/h3-8H,9-10,15H2,1-2H3
InChIKeyKONXENHLNGGCRV-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.04
Rot. Bonds6

About 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide

5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 61418235) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID61418235
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C14H18N2O3S2/c1-16(10-11-3-5-12(19-2)6-4-11)21(17,18)14-8-7-13(9-15)20-14/h3-8H,9-10,15H2,1-2H3
InChIKeyKONXENHLNGGCRV-UHFFFAOYSA-N
XLogP2.04
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55353278
2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 63946400
5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61449447
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide
CID 61418218
1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine
CID 118673841
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61108978
5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide
CID 78786879
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47109851
N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 54913854
5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 47304245
5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62751541

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide (CID 61418235) is 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide is COc1ccc(CN(C)S(=O)(=O)c2ccc(CN)s2)cc1.
What is the InChIKey of 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is KONXENHLNGGCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-16(10-11-3-5-12(19-2)6-4-11)21(17,18)14-8-7-13(9-15)20-14/h3-8H,9-10,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 61418235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).