5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide

C13H16N2O3S2 — CID 43155714

IUPAC5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C13H16N2O3S2/c1-9-3-5-12(18-2)11(7-9)15-20(16,17)13-6-4-10(8-14)19-13/h3-7,15H,8,14H2,1-2H3
InChIKeyITKBVOGAYKEXHI-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.32
Rot. Bonds5

About 5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide

5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide (PubChem CID 43155714) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
PubChem CID43155714
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C13H16N2O3S2/c1-9-3-5-12(18-2)11(7-9)15-20(16,17)13-6-4-10(8-14)19-13/h3-7,15H,8,14H2,1-2H3
InChIKeyITKBVOGAYKEXHI-UHFFFAOYSA-N
XLogP2.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 61454236
5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43155731
5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 20917747
5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 51115488
N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935961
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 47310946
(2-methoxy-5-methylphenyl)sulfamic acid
CID 11844868
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 43332828
N-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059695
N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 28941062
N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 5310306
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide (CID 43155714) is 5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is ITKBVOGAYKEXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-9-3-5-12(18-2)11(7-9)15-20(16,17)13-6-4-10(8-14)19-13/h3-7,15H,8,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 43155714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).