5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide

C11H16N4O2S2 — CID 106054619

IUPAC5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCn2cccn2)sc1CN
InChIInChI=1S/C11H16N4O2S2/c1-9-7-11(18-10(9)8-12)19(16,17)14-4-6-15-5-2-3-13-15/h2-3,5,7,14H,4,6,8,12H2,1H3
InChIKeyZDWMUYYYTGTZKV-UHFFFAOYSA-N
MW300.41 g/mol
LogP0.69
Rot. Bonds6

About 5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide

5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 106054619) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
PubChem CID106054619
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCn2cccn2)sc1CN
InChIInChI=1S/C11H16N4O2S2/c1-9-7-11(18-10(9)8-12)19(16,17)14-4-6-15-5-2-3-13-15/h2-3,5,7,14H,4,6,8,12H2,1H3
InChIKeyZDWMUYYYTGTZKV-UHFFFAOYSA-N
XLogP0.69
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
CID 112697586
5-(aminomethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106062569
5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 114132396
2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
CID 106054518
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61462673
5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054086
5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054607
2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
CID 106054649
4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716657
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460006
2-methoxy-4,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716631
5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054562

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide (CID 106054619) is 5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCn2cccn2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is ZDWMUYYYTGTZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-9-7-11(18-10(9)8-12)19(16,17)14-4-6-15-5-2-3-13-15/h2-3,5,7,14H,4,6,8,12H2,1H3.
What are the key properties of 5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide?
5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106054619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).