5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide

C13H16N2O4S2 — CID 106058867

IUPAC5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2csc(CN)c2)c1
InChIInChI=1S/C13H16N2O4S2/c1-18-9-3-4-13(19-2)12(5-9)15-21(16,17)11-6-10(7-14)20-8-11/h3-6,8,15H,7,14H2,1-2H3
InChIKeyYCPAMHIVILVXEM-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.02
Rot. Bonds6

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

5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide (PubChem CID 106058867) has the molecular formula C13H16N2O4S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide
PubChem CID106058867
Molecular FormulaC13H16N2O4S2
Molecular Weight328.42 g/mol
Exact Mass328.06
IUPAC Name5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2csc(CN)c2)c1
InChIInChI=1S/C13H16N2O4S2/c1-18-9-3-4-13(19-2)12(5-9)15-21(16,17)11-6-10(7-14)20-8-11/h3-6,8,15H,7,14H2,1-2H3
InChIKeyYCPAMHIVILVXEM-UHFFFAOYSA-N
XLogP2.02
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride
CID 172999625
5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106067006
5-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106030415
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180
N-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059695
5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide
CID 106057499
N-(2,5-dimethoxyphenyl)naphthalene-2-sulfonamide
CID 823335
5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030161
5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide
CID 106087259
5-(aminomethyl)-N-(2,5-difluoro-4-methylphenyl)thiophene-3-sulfonamide
CID 106087283
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147
N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657262

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide (CID 106058867) is 5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2csc(CN)c2)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide?
The InChIKey is YCPAMHIVILVXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S2/c1-18-9-3-4-13(19-2)12(5-9)15-21(16,17)11-6-10(7-14)20-8-11/h3-6,8,15H,7,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide has a molecular weight of 328.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106058867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).