3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide

C11H16N4O2S2 — CID 106056626

IUPAC3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NC(C)c1ccsc1
InChIInChI=1S/C11H16N4O2S2/c1-7(9-3-4-18-6-9)15-19(16,17)11-8(2)13-14-10(11)5-12/h3-4,6-7,15H,5,12H2,1-2H3,(H,13,14)
InChIKeyOXZOIZNYLYGMMX-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.28
Rot. Bonds5

About 3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide

3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106056626) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID106056626
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NC(C)c1ccsc1
InChIInChI=1S/C11H16N4O2S2/c1-7(9-3-4-18-6-9)15-19(16,17)11-8(2)13-14-10(11)5-12/h3-4,6-7,15H,5,12H2,1-2H3,(H,13,14)
InChIKeyOXZOIZNYLYGMMX-UHFFFAOYSA-N
XLogP1.28
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 62844265
5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 106056610
4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 107327103
1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 106056537
2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62842182
3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056522
N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 64586301
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485
5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056485
3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide
CID 106070171
4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844441
4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide (CID 106056626) is 3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CN)c1S(=O)(=O)NC(C)c1ccsc1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is OXZOIZNYLYGMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-7(9-3-4-18-6-9)15-19(16,17)11-8(2)13-14-10(11)5-12/h3-4,6-7,15H,5,12H2,1-2H3,(H,13,14).
What are the key properties of 3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106056626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).