5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide

C12H18N4O2S2 — CID 61461194

IUPAC5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C12H18N4O2S2/c1-10(9-16-8-2-7-14-16)15-20(17,18)12-4-3-11(19-12)5-6-13/h2-4,7-8,10,15H,5-6,9,13H2,1H3
InChIKeyKLWDUPYGSJFPQU-UHFFFAOYSA-N
MW314.44 g/mol
LogP0.81
Rot. Bonds7

About 5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide (PubChem CID 61461194) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide
PubChem CID61461194
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C12H18N4O2S2/c1-10(9-16-8-2-7-14-16)15-20(17,18)12-4-3-11(19-12)5-6-13/h2-4,7-8,10,15H,5-6,9,13H2,1H3
InChIKeyKLWDUPYGSJFPQU-UHFFFAOYSA-N
XLogP0.81
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270609
5-(2-aminoethyl)-N-(1-phenylethyl)thiophene-2-sulfonamide
CID 43520782
2-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 63945800
6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819
4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106996794
4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 79569041
5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054648
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009439
5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
CID 43543966
5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106283146
4-(aminomethyl)-2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106009441

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide (CID 61461194) is 5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide is CC(Cn1cccn1)NS(=O)(=O)c1ccc(CCN)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is KLWDUPYGSJFPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-10(9-16-8-2-7-14-16)15-20(17,18)12-4-3-11(19-12)5-6-13/h2-4,7-8,10,15H,5-6,9,13H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 61461194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).