2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide

C13H16N2O2S2 — CID 102752086

IUPAC2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C13H16N2O2S2/c1-10-9-18-12(7-14)13(10)19(16,17)15-8-11-5-3-2-4-6-11/h2-6,9,15H,7-8,14H2,1H3
InChIKeyBZNOPOWISWTJKK-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.99
Rot. Bonds5

About 2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide

2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide (PubChem CID 102752086) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide
PubChem CID102752086
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C13H16N2O2S2/c1-10-9-18-12(7-14)13(10)19(16,17)15-8-11-5-3-2-4-6-11/h2-6,9,15H,7-8,14H2,1H3
InChIKeyBZNOPOWISWTJKK-UHFFFAOYSA-N
XLogP1.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106018690
2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide
CID 106378238
2-(aminomethyl)-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106410691
2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide
CID 106050717
2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide
CID 106092711
2-(aminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086886
2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
CID 102751985
2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082660
2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090624
2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
CID 102752653
2-(aminomethyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088307
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide
CID 106068928

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide (CID 102752086) is 2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide is Cc1csc(CN)c1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide?
The InChIKey is BZNOPOWISWTJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-10-9-18-12(7-14)13(10)19(16,17)15-8-11-5-3-2-4-6-11/h2-6,9,15H,7-8,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide has a molecular weight of 296.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 102752086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).