N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide

C12H17N3O2S2 — CID 86266413

IUPACN-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C12H17N3O2S2/c1-2-9-19(16,17)13-5-7-15-6-3-12(14-15)11-4-8-18-10-11/h3-4,6,8,10,13H,2,5,7,9H2,1H3
InChIKeyBHOVUUNUODOZCA-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.94
Rot. Bonds7

About N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide

N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide (PubChem CID 86266413) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide
PubChem CID86266413
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C12H17N3O2S2/c1-2-9-19(16,17)13-5-7-15-6-3-12(14-15)11-4-8-18-10-11/h3-4,6,8,10,13H,2,5,7,9H2,1H3
InChIKeyBHOVUUNUODOZCA-UHFFFAOYSA-N
XLogP1.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide (CID 86266413) is N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCn1ccc(-c2ccsc2)n1.
What is the InChIKey of N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide?
The InChIKey is BHOVUUNUODOZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-2-9-19(16,17)13-5-7-15-6-3-12(14-15)11-4-8-18-10-11/h3-4,6,8,10,13H,2,5,7,9H2,1H3.
What are the key properties of N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide?
N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 86266413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).