5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide

C14H18N2O3S2 — CID 106056485

IUPAC5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)NC(C)c1ccsc1
InChIInChI=1S/C14H18N2O3S2/c1-10(12-5-6-20-9-12)16-21(17,18)14-7-11(8-15)3-4-13(14)19-2/h3-7,9-10,16H,8,15H2,1-2H3
InChIKeyCXYUBSDEKLIFNQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.25
Rot. Bonds6

About 5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide

5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 106056485) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID106056485
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)NC(C)c1ccsc1
InChIInChI=1S/C14H18N2O3S2/c1-10(12-5-6-20-9-12)16-21(17,18)14-7-11(8-15)3-4-13(14)19-2/h3-7,9-10,16H,8,15H2,1-2H3
InChIKeyCXYUBSDEKLIFNQ-UHFFFAOYSA-N
XLogP2.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 79962257
5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844249
2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide
CID 19971094
3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056522
5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068431
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485
5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 106056610
5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331881
2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204679
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933093
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide (CID 106056485) is 5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide is COc1ccc(CN)cc1S(=O)(=O)NC(C)c1ccsc1.
What is the InChIKey of 5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is CXYUBSDEKLIFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-10(12-5-6-20-9-12)16-21(17,18)14-7-11(8-15)3-4-13(14)19-2/h3-7,9-10,16H,8,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106056485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).