5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide

C12H18N4O2S2 — CID 106054648

IUPAC5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCCn2cccn2)s1
InChIInChI=1S/C12H18N4O2S2/c1-13-7-5-11-3-4-12(19-11)20(17,18)15-8-10-16-9-2-6-14-16/h2-4,6,9,13,15H,5,7-8,10H2,1H3
InChIKeyVVBHJLYFQJYUHQ-UHFFFAOYSA-N
MW314.44 g/mol
LogP0.69
Rot. Bonds8

About 5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide

5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 106054648) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
PubChem CID106054648
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCCn2cccn2)s1
InChIInChI=1S/C12H18N4O2S2/c1-13-7-5-11-3-4-12(19-11)20(17,18)15-8-10-16-9-2-6-14-16/h2-4,6,9,13,15H,5,7-8,10H2,1H3
InChIKeyVVBHJLYFQJYUHQ-UHFFFAOYSA-N
XLogP0.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61462775
5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 106077162
2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
CID 106054518
2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
CID 106054649
5-[2-(methylamino)ethyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106068090
5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054619
5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81174323
N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106078895
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 61461194
5-[2-(methylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064914
5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide
CID 106077013

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide (CID 106054648) is 5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide is CNCCc1ccc(S(=O)(=O)NCCn2cccn2)s1.
What is the InChIKey of 5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is VVBHJLYFQJYUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-13-7-5-11-3-4-12(19-11)20(17,18)15-8-10-16-9-2-6-14-16/h2-4,6,9,13,15H,5,7-8,10H2,1H3.
What are the key properties of 5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide?
5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106054648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).